Chembase list of 866358 unique molecular structures

[4-bromo-2-(trifluoromethyl)phenyl]thiourea

$$$$ Data More

M. F.

C8H6BrF3N2S

Suppliers	Catalog Number
Sigma Aldrich	654736
Alfa Aesar	L10856
Matrix Scientific	056933

Database	Data ID
PubChem	2783234

M. W.

299.1108496

CAS

208186-71-4

Similarity

N/A

ID: 52302

2-bromo-1,3-dimethylbenzene

$$$$ Data More

M. F.

C8H9Br

Suppliers	Catalog Number
Sigma Aldrich	115851 18745
MP Biomedicals	05211316
Alfa Aesar	A13130

Database	Data ID
PubChem	68471

M. W.

185.06106

CAS

576-22-7

Similarity

N/A

ID: 52303

1-bromo-2,4-dimethylbenzene

$$$$ Data More

M. F.

C8H9Br

Suppliers	Catalog Number
Sigma Aldrich	211478 B83827
MP Biomedicals	05214732
Alfa Aesar	A10212

Database	Data ID
PubChem	68503

M. W.

185.06106

CAS

583-70-0

Similarity

N/A

ID: 52304

butyl 2-aminobenzoate

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Sigma Aldrich	W218103
Matrix Scientific	056936

Database	Data ID
PubChem	24433

M. W.

193.2423

CAS

7756-96-9

Similarity

N/A

ID: 52305

4-tert-butylbenzohydrazide

$$$$ Data More

M. F.

C11H16N2O

Suppliers	Catalog Number
Sigma Aldrich	168114
Alfa Aesar	A13224
Matrix Scientific	056937

Database	Data ID
PubChem	123513

M. W.

192.25754

CAS

43100-38-5

Similarity

N/A

ID: 52306

(4-butylphenyl)methanamine

$$$$ Data

M. F.

C11H17N

Suppliers	Catalog Number
Alfa Aesar	B22316
Matrix Scientific	056938

Database	Data ID
PubChem	4029871

M. W.

163.25938

CAS

57802-79-6

Similarity

N/A

ID: 52307

(4-tert-butylphenyl)methanamine

$$$$ Data More

M. F.

C11H17N

Suppliers	Catalog Number
Sigma Aldrich	631280
Alfa Aesar	L20394
Matrix Scientific	056939

Database	Data ID
PubChem	2735655

M. W.

163.25938

CAS

39895-55-1

Similarity

N/A

ID: 52308

1-isothiocyanatobutane

$$$$ Data More

M. F.

C5H9NS

Suppliers	Catalog Number
Sigma Aldrich	W408201 253790 20140
MP Biomedicals	05205809
Alfa Aesar	A10935

Database	Data ID
PubChem	11613

M. W.

115.19666

CAS

592-82-5

Similarity

N/A

ID: 52309

3-butyl-1-phenylthiourea

$$$$ Data

M. F.

C11H16N2S

Suppliers	Catalog Number
Matrix Scientific	056941

Database	Data ID
PubChem	3034183

M. W.

208.32314

CAS

6336-01-2

Similarity

N/A

ID: 52310

2-(2-methylpropane-2-sulfonyl)acetonitrile

$$$$ Data More

M. F.

C6H11NO2S

Suppliers	Catalog Number
Alfa Aesar	L07525
Matrix Scientific	056942
Maybridge	KM01834

Database	Data ID
PubChem	2778536

M. W.

161.22204

CAS

81536-18-7

Similarity

N/A

ID: 52311

1-amino-3-tert-butylthiourea

$$$$ Data More

M. F.

C5H13N3S

Suppliers	Catalog Number
Alfa Aesar	L10704
Matrix Scientific	056943
Apollo Scientific	OR29873

Database	Data ID
PubChem	737275

M. W.

147.24182

CAS

13431-39-5

Similarity

N/A

ID: 52312

2-chlorobenzamide

$$$$ Data More

M. F.

C7H6ClNO

Suppliers	Catalog Number
Sigma Aldrich	216062
MP Biomedicals	05224102
Alfa Aesar	A15706

Database	Data ID
PubChem	69111

M. W.

155.58164

CAS

609-66-5

Similarity

N/A

ID: 52313

3-chlorobenzamide

$$$$ Data

M. F.

C7H6ClNO

Suppliers	Catalog Number
Alfa Aesar	A11389
Matrix Scientific	056945
Apollo Scientific	OR21585

Database	Data ID
PubChem	69254

M. W.

155.58164

CAS

618-48-4

Similarity

N/A

ID: 52314

2-chlorobenzohydrazide

$$$$ Data More

M. F.

C7H7ClN2O

Suppliers	Catalog Number
Sigma Aldrich	259993
MP Biomedicals	05209825
Alfa Aesar	A11361

Database	Data ID
PubChem	79883

M. W.

170.59628

CAS

5814-05-1

Similarity

N/A

ID: 52315

{[(2-chlorophenyl)methyl]sulfanyl}carbonitrile

$$$$ Data

M. F.

C8H6ClNS

Suppliers	Catalog Number
Matrix Scientific	056947

Database	Data ID
PubChem	286723

M. W.

183.65794

CAS

Similarity

N/A

ID: 52316

{[(3-chlorophenyl)methyl]sulfanyl}carbonitrile

$$$$ Data

M. F.

C8H6ClNS

Suppliers	Catalog Number
Matrix Scientific	056948

Database	Data ID
PubChem	23432657

M. W.

183.65794

CAS

Similarity

N/A

ID: 52317

{[(4-chlorophenyl)methyl]sulfanyl}carbonitrile

$$$$ Data

M. F.

C8H6ClNS

Suppliers	Catalog Number
Matrix Scientific	056949

Database	Data ID
PubChem	96152

M. W.

183.65794

CAS

Similarity

N/A

ID: 52318

3-amino-1-[(4-chlorophenyl)methyl]thiourea

$$$$ Data

M. F.

C8H10ClN3S

Suppliers	Catalog Number
Matrix Scientific	056950

Database	Data ID
PubChem	3400949

M. W.

215.7031

CAS

6610-36-2

Similarity

N/A

ID: 52319

[(4-chlorophenyl)methyl]thiourea

$$$$ Data

M. F.

C8H9ClN2S

Suppliers	Catalog Number
Matrix Scientific	056951

Database	Data ID
PubChem	3647757

M. W.

200.68846

CAS

24827-37-0

Similarity

N/A

ID: 52320

1-chloro-2-fluoro-4-isothiocyanatobenzene

$$$$ Data

M. F.

C7H3ClFNS

Suppliers	Catalog Number
Matrix Scientific	056952

Database	Data ID
PubChem	3789551

M. W.

187.6218232

CAS

Similarity

N/A

ID: 52321

2-chloro-5-iodobenzohydrazide

$$$$ Data

M. F.

C7H6ClIN2O

Suppliers	Catalog Number
Matrix Scientific	056953

Database	Data ID
PubChem	3250872

M. W.

296.49281

CAS

Similarity

N/A

ID: 52322

4-chloro-3-iodobenzohydrazide

$$$$ Data

M. F.

C7H6ClIN2O

Suppliers	Catalog Number
Matrix Scientific	056954

Database	Data ID
PubChem	3894136

M. W.

296.49281

CAS

Similarity

N/A

ID: 52323

2-chloro-5-iodobenzonitrile

$$$$ Data

M. F.

C7H3ClIN

Suppliers	Catalog Number
Matrix Scientific	056955
Apollo Scientific	OR15034
Chemik	CHB27329

Database	Data ID
PubChem	24721573

M. W.

263.46289

CAS

289039-29-8

Similarity

N/A

ID: 52324

4-chloro-2-iodobenzonitrile

$$$$ Data

M. F.

C7H3ClIN

Suppliers	Catalog Number
Matrix Scientific	056956

Database	Data ID
PubChem	21516165

M. W.

263.46289

CAS

Similarity

N/A

ID: 52325

4-chloro-3-iodobenzonitrile

$$$$ Data

M. F.

C7H3ClIN

Suppliers	Catalog Number
Matrix Scientific	056957

Database	Data ID
PubChem	16659396

M. W.

263.46289

CAS

914106-26-6

Similarity

N/A

ID: 52326

3-chloro-4-methoxybenzoic acid

$$$$ Data More

M. F.

C8H7ClO3

Suppliers	Catalog Number
Sigma Aldrich	653179
Alfa Aesar	A10106
Matrix Scientific	056958

Database	Data ID
PubChem	169982

M. W.

186.59238

CAS

37908-96-6

Similarity

N/A

ID: 52327

(5-chloro-2-methoxyphenyl)thiourea

$$$$ Data

M. F.

C8H9ClN2OS

Suppliers	Catalog Number
Alfa Aesar	A13557
Matrix Scientific	056959
Apollo Scientific	OR11099

Database	Data ID
PubChem	2732660

M. W.

216.68786

CAS

63980-69-8

Similarity

N/A

ID: 52328

1-chloro-3-methoxy-2-methylbenzene

$$$$ Data More

M. F.

C8H9ClO

Suppliers	Catalog Number
Sigma Aldrich	523232
Alfa Aesar	B22203
Matrix Scientific	056960

Database	Data ID
PubChem	76749

M. W.

156.60946

CAS

3260-88-6

Similarity

N/A

ID: 52329

2-chloro-3-methylbenzohydrazide

$$$$ Data

M. F.

C8H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	056961

Database	Data ID
PubChem	4323643

M. W.

184.62286

CAS

Similarity

N/A

ID: 52330

3-chloro-2-methylbenzohydrazide

$$$$ Data

M. F.

C8H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	056962

Database	Data ID
PubChem	3329081

M. W.

184.62286

CAS

Similarity

N/A

ID: 52331

3-chloro-4-methylbenzohydrazide

$$$$ Data

M. F.

C8H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	056963

Database	Data ID
PubChem	3442599

M. W.

184.62286

CAS

72198-84-6

Similarity

N/A

ID: 52332

4-chloro-2-methylbenzohydrazide

$$$$ Data

M. F.

C8H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	056964

Database	Data ID
PubChem	4573225

M. W.

184.62286

CAS

75319-02-7

Similarity

N/A

ID: 52333

4-chloro-3-methylbenzohydrazide

$$$$ Data

M. F.

C8H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	056965

Database	Data ID
PubChem	4287125

M. W.

184.62286

CAS

Similarity

N/A

ID: 52334

2-chloro-3-methylbenzonitrile

$$$$ Data

M. F.

C8H6ClN

Suppliers	Catalog Number
Matrix Scientific	056966
Chemik	CHB27421
A&J Pharmtech	AJA-O5241

Database	Data ID
PubChem	14529890

M. W.

151.59294

CAS

15013-71-5

Similarity

N/A

ID: 52335

2-chloro-6-methylphenol

$$$$ Data

M. F.

C7H7ClO

Suppliers	Catalog Number
Alfa Aesar	L03617
Matrix Scientific	056967
Apollo Scientific	OR0259

Database	Data ID
PubChem	6898

M. W.

142.58288

CAS

87-64-9

Similarity

N/A

ID: 52336

1-chloro-2-isothiocyanato-3-methylbenzene

$$$$ Data

M. F.

C8H6ClNS

Suppliers	Catalog Number
Matrix Scientific	056968
Maybridge	SB01714
Apollo Scientific	OR28910

Database	Data ID
PubChem	3731725

M. W.

183.65794

CAS

19241-34-0

Similarity

N/A

ID: 52337

5-(4-chloro-2-methylphenyl)-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C8H7ClN4

Suppliers	Catalog Number
Matrix Scientific	056969

Database	Data ID
PubChem	39388436

M. W.

194.62098

CAS

Similarity

N/A

ID: 52338

5-(5-chloro-2-methylphenyl)-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C8H7ClN4

Suppliers	Catalog Number
Matrix Scientific	056970

Database	Data ID
PubChem	39388434

M. W.

194.62098

CAS

Similarity

N/A

ID: 52339

3-chloro-2-methylbenzene-1-carbothioamide

$$$$ Data

M. F.

C8H8ClNS

Suppliers	Catalog Number
Matrix Scientific	056971

Database	Data ID
PubChem	39388431

M. W.

185.67382

CAS

Similarity

N/A

ID: 52340

4-chloro-2-methylbenzene-1-carbothioamide

$$$$ Data

M. F.

C8H8ClNS

Suppliers	Catalog Number
Matrix Scientific	056972

Database	Data ID
PubChem	39388432

M. W.

185.67382

CAS

Similarity

N/A

ID: 52341

5-chloro-2-methylbenzene-1-carbothioamide

$$$$ Data

M. F.

C8H8ClNS

Suppliers	Catalog Number
Matrix Scientific	056973

Database	Data ID
PubChem	39388430

M. W.

185.67382

CAS

Similarity

N/A

ID: 52342

2-chloro-4-nitrobenzonitrile

$$$$ Data More

M. F.

C7H3ClN2O2

Suppliers	Catalog Number
Alfa Aesar	A11977
Matrix Scientific	056974
Key Organics	JS-188C

Database	Data ID
PubChem	141401

M. W.

182.56392

CAS

28163-00-0

Similarity

N/A

ID: 52343

2-chloro-5-nitrobenzonitrile

$$$$ Data More

M. F.

C7H3ClN2O2

Suppliers	Catalog Number
Sigma Aldrich	135712
Alfa Aesar	B24287
Matrix Scientific	056975

Database	Data ID
PubChem	85504

M. W.

182.56392

CAS

16588-02-6

Similarity

N/A

ID: 52344

2-chloro-4-nitrobenzene-1-carbothioamide

$$$$ Data

M. F.

C7H5ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	056976

Database	Data ID
PubChem	45040717

M. W.

216.6448

CAS

Similarity

N/A

ID: 52345

2-chloro-5-nitrobenzene-1-carbothioamide

$$$$ Data

M. F.

C7H5ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	056977

Database	Data ID
PubChem	45040718

M. W.

216.6448

CAS

Similarity

N/A

ID: 52346

4-(2-chlorophenyl)butan-2-one

$$$$ Data

M. F.

C10H11ClO

Suppliers	Catalog Number
Matrix Scientific	056978

Database	Data ID
PubChem	18551300

M. W.

182.64674

CAS

Similarity

N/A

ID: 52347

4-(4-chlorophenyl)butan-2-one

$$$$ Data

M. F.

C10H11ClO

Suppliers	Catalog Number
Matrix Scientific	056979

Database	Data ID
PubChem	219277

M. W.

182.64674

CAS

3506-75-0

Similarity

N/A

ID: 52348

1-(4-chlorophenyl)-1H-pyrrole

$$$$ Data More

M. F.

C10H8ClN

Suppliers	Catalog Number
Sigma Aldrich	452947
Matrix Scientific	056980
Maybridge	CD03747

Database	Data ID
PubChem	272425

M. W.

177.63022

CAS

5044-38-2

Similarity

N/A

ID: 52349

3-amino-1-(2-chlorophenyl)thiourea

$$$$ Data

M. F.

C7H8ClN3S

Suppliers	Catalog Number
Alfa Aesar	L12249
Matrix Scientific	056981

Database	Data ID
PubChem	717704

M. W.

201.67652

CAS

42135-75-1

Similarity

N/A

ID: 52350

3-amino-1-(4-chlorophenyl)thiourea

$$$$ Data

M. F.

C7H8ClN3S

Suppliers	Catalog Number
Alfa Aesar	L12657
Matrix Scientific	056982

Database	Data ID
PubChem	706988

M. W.

201.67652

CAS

22814-92-2

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