Chembase list of 866358 unique molecular structures

4H-thieno[3,2-c]chromene-2-carbohydrazide

$$$$ Data

M. F.

C12H10N2O2S

Suppliers	Catalog Number
Sigma Aldrich	555746

Database	Data ID
PubChem	3281374

M. W.

246.285

CAS

351003-40-2

Similarity

N/A

ID: 153002

λ²-iron(2+) ion 3-(di-tert-butylphosphanyl)cyclopenta-2,4-dien-1-ide...

$$$$ Data

M. F.

C30H36FeP2

Suppliers	Catalog Number
Sigma Aldrich	555142

Database	Data ID
PubChem	71311578

M. W.

514.399362

CAS

95408-38-1

Similarity

N/A

ID: 153003

(1-¹³C)ethylbenzene

$$$$ Data

M. F.

C8H10

Suppliers	Catalog Number
Sigma Aldrich	578584

Database	Data ID
PubChem	16217335

M. W.

107.15765484

CAS

287399-32-0

Similarity

N/A

ID: 153004

4-methoxybenzene-1,3-dicarbonitrile

$$$$ Data

M. F.

C9H6N2O

Suppliers	Catalog Number
Sigma Aldrich	527831

Database	Data ID
PubChem	5061995

M. W.

158.15674

CAS

80323-72-4

Similarity

N/A

ID: 153005

2-({[1-(4-methoxyphenyl)ethylidene]amino}oxy)acetic acid

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Sigma Aldrich	558451

Database	Data ID
PubChem	6014382

M. W.

223.22522

CAS

63564-07-8

Similarity

N/A

ID: 153006

4,6-dichloro-2-oxo-2H-chromene-3-carbaldehyde

$$$$ Data

M. F.

C10H4Cl2O3

Suppliers	Catalog Number
Sigma Aldrich	550353

Database	Data ID
PubChem	1268282

M. W.

243.04296

CAS

51069-87-5

Similarity

N/A

ID: 153007

(isocyanatomethyl)cyclohexane

$$$$ Data

M. F.

C8H13NO

Suppliers	Catalog Number
Sigma Aldrich	571997

Database	Data ID
PubChem	3414518

M. W.

139.19492

CAS

51163-24-7

Similarity

N/A

ID: 153008

1,3-dichloro-2-isothiocyanatobenzene

$$$$ Data

M. F.

C7H3Cl2NS

Suppliers	Catalog Number
Sigma Aldrich	475890
Alfa Aesar	L12672
Enamine	EN300-30931

Database	Data ID
PubChem	123239

M. W.

204.07642

CAS

6590-95-0

Similarity

N/A

ID: 153009

2-phenyl-1-[(2-phenylacetyl)disulfanyl]ethan-1-one

$$$$ Data

M. F.

C16H14O2S2

Suppliers	Catalog Number
Sigma Aldrich	554324
Alfa Aesar	L19792
Bide Pharmatech	BD147624

Database	Data ID
PubChem	3378603

M. W.

302.41116

CAS

15088-78-5

Similarity

N/A

ID: 153010

2-amino-2-phenylbutanoic acid

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Sigma Aldrich	530255
Enamine	EN300-71336

Database	Data ID
PubChem	89317

M. W.

179.21572

CAS

5438-07-3

Similarity

N/A

ID: 153011

6-bromo-2-methyl-4H-chromen-4-one

$$$$ Data

M. F.

C10H7BrO2

Suppliers	Catalog Number
Sigma Aldrich	550329

Database	Data ID
PubChem	4460653

M. W.

239.06538

CAS

30779-63-6

Similarity

N/A

ID: 153012

5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data More

M. F.

C7H5N3O3

Suppliers	Catalog Number
Sigma Aldrich	558478
Alfa Aesar	L16391
Bide Pharmatech	BD104988

Database	Data ID
PubChem	3725611

M. W.

179.1329

CAS

93-84-5

Similarity

N/A

ID: 153013

bis(3-ethylcyclopenta-2,4-dien-1-ide); dichloroniobiumbis(ylium)

$$$$

M. F.

C14H18Cl2Nb

Suppliers	Catalog Number
Sigma Aldrich	553956

Database

Data ID

M. W.

350.1051

CAS

78885-50-4

Similarity

N/A

ID: 153014

N-pentylformamide

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Sigma Aldrich	577243

Database	Data ID
PubChem	16217248

M. W.

115.17352

CAS

2591-79-9

Similarity

N/A

ID: 153015

2-(thiophen-3-yl)thiophene

$$$$ Data

M. F.

C8H6S2

Suppliers	Catalog Number
Sigma Aldrich	577812

Database	Data ID
PubChem	137586

M. W.

166.26324

CAS

2404-89-9

Similarity

N/A

ID: 153016

trimethyl[2-(thiophen-3-yl)ethynyl]silane

$$$$ Data

M. F.

C9H12SSi

Suppliers	Catalog Number
Sigma Aldrich	577049
Alfa Aesar	H55161

Database	Data ID
PubChem	3654101

M. W.

180.34208

CAS

130995-13-0

Similarity

N/A

ID: 153017

octakis({dimethyl[3-(oxiran-2-ylmethoxy)propyl]silyl}oxy)pentacyclo[9.5.1.1^...

$$$$ Data

M. F.

C64H136O36Si16

Suppliers	Catalog Number
Sigma Aldrich	593869

Database	Data ID
PubChem	58999456

M. W.

1931.11104

CAS

136864-48-7

Similarity

N/A

ID: 153018

octakis({[2-(cyclohex-3-en-1-yl)ethyl]dimethylsilyl}oxy)pentacyclo[9.5.1.1^3...

$$$$ Data

M. F.

C80H152O20Si16

Suppliers	Catalog Number
Sigma Aldrich	593974

Database	Data ID
PubChem	71311579

M. W.

1883.41888

CAS

136849-03-1

Similarity

N/A

ID: 153019

[(2R,3S,4S,5R)-tetrakis[(²H)oxy](²H₅)oxan-2-yl]...

$$$$ Data

M. F.

C6H12O6

Suppliers	Catalog Number
Sigma Aldrich	616338

Database	Data ID
PubChem	16213872

M. W.

180.15588

CAS

Similarity

N/A

ID: 153020

(2S)-2-amino-4-[(¹³C)methylsulfanyl](1,2,3,4-¹<...

$$$$ Data

M. F.

C5H11NO2S

Suppliers	Catalog Number
Sigma Aldrich	608106

Database	Data ID
PubChem	71311580

M. W.

155.16802309

CAS

Similarity

N/A

ID: 153021

$$$$ Data

M. F.

C4H3Cl2N4

Suppliers	Catalog Number
Sigma Aldrich	579297

Database	Data ID
PubChem	312201

M. W.

177.99942

CAS

Similarity

N/A

ID: 153022

2-methylbenzene-1,4-dicarbonitrile

$$$$ Data

M. F.

C9H6N2

Suppliers	Catalog Number
Sigma Aldrich	579246
Bide Pharmatech	BD165165

Database	Data ID
PubChem	10419286

M. W.

142.15734

CAS

55984-93-5

Similarity

N/A

ID: 153023

4-methoxy-2-nitrobenzonitrile

$$$$ Data

M. F.

C8H6N2O3

Suppliers	Catalog Number
Sigma Aldrich	579130
A&J Pharmtech	AJA-O40002

Database	Data ID
PubChem	288665

M. W.

178.14484

CAS

38469-83-9

Similarity

N/A

ID: 153024

potassium trifluoro[(E)-2-phenylethenyl]boranuide

$$$$ Data

M. F.

C8H7BF3K

Suppliers	Catalog Number
Sigma Aldrich	576158
Alfa Aesar	L17971

Database	Data ID
PubChem	23664278

M. W.

210.0456896

CAS

201852-49-5

Similarity

N/A

ID: 153025

1-(5-ethoxy-2-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Sigma Aldrich	579181

Database	Data ID
PubChem	12208169

M. W.

180.20048

CAS

56414-14-3

Similarity

N/A

ID: 153026

1-(2-ethoxy-6-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Sigma Aldrich	579203

Database	Data ID
PubChem	4120026

M. W.

180.20048

CAS

2750-25-6

Similarity

N/A

ID: 153027

3,5-dimethoxyphenyl trifluoromethanesulfonate

$$$$ Data

M. F.

C9H9F3O5S

Suppliers	Catalog Number
Sigma Aldrich	579262

Database	Data ID
PubChem	5044558

M. W.

286.2249696

CAS

60319-09-7

Similarity

N/A

ID: 153028

1,6-dimethoxynaphthalene

$$$$ Data

M. F.

C12H12O2

Suppliers	Catalog Number
Sigma Aldrich	579254
Alfa Aesar	L18129
A&J Pharmtech	AJA-O10503

Database	Data ID
PubChem	296916

M. W.

188.22248

CAS

3900-49-0

Similarity

N/A

ID: 153029

2-methyl-4-{2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl}phenyl 2-methylprop-2-e...

$$$$ Data

M. F.

C23H20N4O2

Suppliers	Catalog Number
Sigma Aldrich	579033

Database	Data ID
PubChem	3508169

M. W.

384.4305

CAS

480425-25-0

Similarity

N/A

ID: 153030

anthracen-9-ylmethyl 2,2-dimethylbutanoate

$$$$ Data

M. F.

C21H22O2

Suppliers	Catalog Number
Sigma Aldrich	579017

Database	Data ID
PubChem	58883119

M. W.

306.39818

CAS

Similarity

N/A

ID: 153031

bis(2,2,2-trifluoroethyl) methylphosphonate

$$$$ Data

M. F.

C5H7F6O3P

Suppliers	Catalog Number
Sigma Aldrich	579440

Database	Data ID
PubChem	3625610

M. W.

260.0714602

CAS

757-95-9

Similarity

N/A

ID: 153032

1-methanesulfonyl-1H-1,2,3-benzotriazole

$$$$ Data

M. F.

C7H7N3O2S

Suppliers	Catalog Number
Sigma Aldrich	579408
Alfa Aesar	H53386

Database	Data ID
PubChem	792044

M. W.

197.21438

CAS

37073-15-7

Similarity

N/A

ID: 153033

2,2,7,7,12,12,17,17-octamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³

$$$$ Data

M. F.

C28H36N4

Suppliers	Catalog Number
Sigma Aldrich	579270

Database	Data ID
PubChem	634396

M. W.

428.61224

CAS

4475-42-7

Similarity

N/A

ID: 153034

$$$$ Data

M. F.

C8H16NO2S

Suppliers	Catalog Number
Sigma Aldrich	579378

Database	Data ID
PubChem	4145154

M. W.

190.28314

CAS

Similarity

N/A

ID: 153035

4,4,5,5-tetramethyl-2-[5-(thiophen-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane

$$$$ Data

M. F.

C14H17BO2S2

Suppliers	Catalog Number
Sigma Aldrich	578878
A&J Pharmtech	AJA-O33392

Database	Data ID
PubChem	3592790

M. W.

292.22458

CAS

479719-88-5

Similarity

N/A

ID: 153036

1,3-bis(2,4,6-trimethylphenyl)-3H-1λ⁵-imidazol-1-ylium chloride

$$$$ Data

M. F.

C21H25ClN2

Suppliers	Catalog Number
Sigma Aldrich	574066
Alfa Aesar	H27535

Database	Data ID
PubChem	2734211

M. W.

340.8896

CAS

141556-45-8

Similarity

N/A

ID: 153037

disodium decahydrate carbonate

$$$$ Data

M. F.

CH20Na2O13

Suppliers	Catalog Number
Sigma Aldrich	71358 577782 71366 (more...)
Alfa Aesar	A17484

Database	Data ID
PubChem	151402

M. W.

286.14124

CAS

24551-51-7

Similarity

N/A

ID: 153038

(2S)-2-amino-3-[(1-¹⁵N)-1H-indol-3-yl]propanoic acid

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Sigma Aldrich	574600

Database	Data ID
PubChem	16217285

M. W.

206.2119978

CAS

204634-20-8

Similarity

N/A

ID: 153039

3-({[heptakis({[(3-hydroxypropyl)dimethylsilyl]oxy})pentacyclo[9.5.1.1³

$$$$ Data

M. F.

C40H104O28Si16

Suppliers	Catalog Number
Sigma Aldrich	594180

Database	Data ID
PubChem	11240383

M. W.

1482.60496

CAS

288290-32-4

Similarity

N/A

ID: 153040

naphthalen-2-yl 2-methylprop-2-enoate

$$$$ Data

M. F.

C14H12O2

Suppliers	Catalog Number
Sigma Aldrich	578169
Alfa Aesar	H51047

Database	Data ID
PubChem	82654

M. W.

212.24388

CAS

10475-46-4

Similarity

N/A

ID: 153041

dichloro(3-methylbut-2-en-1-ylidene)ruthenium; bis(tricyclohexylphosphane)

$$$$ Data

M. F.

C41H74Cl2P2Ru

Suppliers	Catalog Number
Sigma Aldrich	578681

Database	Data ID
PubChem	10952879

M. W.

800.949782

CAS

194659-03-5

Similarity

N/A

ID: 153042

naphthalen-2-yl prop-2-enoate

$$$$ Data

M. F.

C13H10O2

Suppliers	Catalog Number
Sigma Aldrich	577189

Database	Data ID
PubChem	3664250

M. W.

198.2173

CAS

52684-34-1

Similarity

N/A

ID: 153043

3-[4-(3-chloro-3-oxoprop-1-en-1-yl)phenyl]prop-2-enoyl chloride

$$$$ Data

M. F.

C12H8Cl2O2

Suppliers	Catalog Number
Sigma Aldrich	589071
Alfa Aesar	H51055

Database	Data ID
PubChem	5989690

M. W.

255.09672

CAS

35288-49-4

Similarity

N/A

ID: 153044

2-methylidenebutanoyl chloride

$$$$ Data

M. F.

C5H7ClO

Suppliers	Catalog Number
Sigma Aldrich	589144

Database	Data ID
PubChem	4227818

M. W.

118.56148

CAS

4390-96-9

Similarity

N/A

ID: 153045

benzyl 2-methylidenebutanoate

$$$$ Data

M. F.

C12H14O2

Suppliers	Catalog Number
Sigma Aldrich	589136

Database	Data ID
PubChem	16217348

M. W.

190.23836

CAS

Similarity

N/A

ID: 153046

ethyl 2-methylidenebutanoate

$$$$ Data

M. F.

C7H12O2

Suppliers	Catalog Number
Sigma Aldrich	589101

Database	Data ID
PubChem	291416

M. W.

128.16898

CAS

3070-65-3

Similarity

N/A

ID: 153047

[2-(3,5-difluorophenyl)ethynyl]trimethylsilane

$$$$ Data

M. F.

C11H12F2Si

Suppliers	Catalog Number
Sigma Aldrich	589330

Database	Data ID
PubChem	4464151

M. W.

210.2952864

CAS

445491-09-8

Similarity

N/A

ID: 153048

anthracen-9-ylmethyl prop-2-enoate

$$$$ Data

M. F.

C18H14O2

Suppliers	Catalog Number
Sigma Aldrich	577111

Database	Data ID
PubChem	4065231

M. W.

262.30256

CAS

31645-34-8

Similarity

N/A

ID: 153049

anthracen-9-ylmethyl 2-methylprop-2-enoate

$$$$ Data

M. F.

C19H16O2

Suppliers	Catalog Number
Sigma Aldrich	578207
TRC	A684980

Database	Data ID
PubChem	3618754

M. W.

276.32914

CAS

31645-35-9

Similarity

N/A

ID: 153050

(prop-2-en-1-yl)bis(trimethylsilyl)amine

$$$$ Data

M. F.

C9H23NSi2

Suppliers	Catalog Number
Sigma Aldrich	578932

Database	Data ID
PubChem	82125

M. W.

201.45662

CAS

7688-51-9

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified