Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C4H7ClO2S

Suppliers	Catalog Number
Enamine	EN300-99119

Database	Data ID
PubChem	15853283

M. W.

154.61518

CAS

Similarity

N/A

ID: 286302

1,3-benzothiazol-2-ylmethanesulfonyl chloride

$$$$ Data

M. F.

C8H6ClNO2S2

Suppliers	Catalog Number
Enamine	EN300-99120

Database	Data ID
PubChem	73994844

M. W.

247.72174

CAS

Similarity

N/A

ID: 286303

(5-chloro-1,3-benzothiazol-2-yl)methanesulfonyl chloride

$$$$ Data

M. F.

C8H5Cl2NO2S2

Suppliers	Catalog Number
Enamine	EN300-99121

Database	Data ID
PubChem	73994845

M. W.

282.1668

CAS

Similarity

N/A

ID: 286304

(5-chloro-1,3-benzoxazol-2-yl)methanesulfonyl chloride

$$$$ Data

M. F.

C8H5Cl2NO3S

Suppliers	Catalog Number
Enamine	EN300-99122

Database	Data ID
PubChem	20387961

M. W.

266.1012

CAS

Similarity

N/A

ID: 286305

4,5-dimethylthiophene-2-sulfonyl chloride

$$$$ Data

M. F.

C6H7ClO2S2

Suppliers	Catalog Number
Enamine	EN300-99124

Database	Data ID
PubChem	18331889

M. W.

210.70158

CAS

Similarity

N/A

ID: 286306

2-methylthiolan-3-amine

$$$$ Data

M. F.

C5H11NS

Suppliers	Catalog Number
Enamine	EN300-99126

Database	Data ID
PubChem	55284309

M. W.

117.21254

CAS

Similarity

N/A

ID: 286307

2-methylthiolan-3-ol

$$$$ Data

M. F.

C5H10OS

Suppliers	Catalog Number
Enamine	EN300-99127

Database	Data ID
PubChem	19957309

M. W.

118.1973

CAS

Similarity

N/A

ID: 286308

(3R)-2-methylthiolan-3-ol

$$$$ Data

M. F.

C5H10OS

Suppliers	Catalog Number
Enamine	EN300-99128

Database	Data ID
PubChem	73994846

M. W.

118.1973

CAS

Similarity

N/A

ID: 286309

(3S)-2-methylthiolan-3-ol

$$$$ Data

M. F.

C5H10OS

Suppliers	Catalog Number
Enamine	EN300-99129

Database	Data ID
PubChem	73994847

M. W.

118.1973

CAS

Similarity

N/A

ID: 286310

methyl 3-(chlorosulfonyl)-5-(2-methylphenyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C13H11ClO4S2

Suppliers	Catalog Number
Enamine	EN300-99132

Database	Data ID
PubChem	73994848

M. W.

330.80704

CAS

Similarity

N/A

ID: 286311

methyl 3-(chlorosulfonyl)-5-(2-fluorophenyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8ClFO4S2

Suppliers	Catalog Number
Enamine	EN300-99133

Database	Data ID
PubChem	73994849

M. W.

334.7709232

CAS

Similarity

N/A

ID: 286312

methyl 5-(2-chlorophenyl)-3-(chlorosulfonyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8Cl2O4S2

Suppliers	Catalog Number
Enamine	EN300-99134

Database	Data ID
PubChem	73994850

M. W.

351.22552

CAS

Similarity

N/A

ID: 286313

methyl 5-(2-bromophenyl)-3-(chlorosulfonyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8BrClO4S2

Suppliers	Catalog Number
Enamine	EN300-99135

Database	Data ID
PubChem	73994851

M. W.

395.67652

CAS

Similarity

N/A

ID: 286314

methyl 3-(chlorosulfonyl)-5-(3-methylphenyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C13H11ClO4S2

Suppliers	Catalog Number
Enamine	EN300-99136

Database	Data ID
PubChem	73994852

M. W.

330.80704

CAS

Similarity

N/A

ID: 286315

methyl 3-(chlorosulfonyl)-5-(3-fluorophenyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8ClFO4S2

Suppliers	Catalog Number
Enamine	EN300-99137

Database	Data ID
PubChem	73994853

M. W.

334.7709232

CAS

Similarity

N/A

ID: 286316

methyl 5-(3-chlorophenyl)-3-(chlorosulfonyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8Cl2O4S2

Suppliers	Catalog Number
Enamine	EN300-99138

Database	Data ID
PubChem	73994854

M. W.

351.22552

CAS

Similarity

N/A

ID: 286317

methyl 5-(3-bromophenyl)-3-(chlorosulfonyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8BrClO4S2

Suppliers	Catalog Number
Enamine	EN300-99139

Database	Data ID
PubChem	73994855

M. W.

395.67652

CAS

Similarity

N/A

ID: 286318

methyl 3-(chlorosulfonyl)-5-(4-methylphenyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C13H11ClO4S2

Suppliers	Catalog Number
Enamine	EN300-99140

Database	Data ID
PubChem	73994856

M. W.

330.80704

CAS

Similarity

N/A

ID: 286319

methyl 3-(chlorosulfonyl)-5-(4-fluorophenyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8ClFO4S2

Suppliers	Catalog Number
Enamine	EN300-99141

Database	Data ID
PubChem	73994857

M. W.

334.7709232

CAS

Similarity

N/A

ID: 286320

methyl 5-(4-chlorophenyl)-3-(chlorosulfonyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8Cl2O4S2

Suppliers	Catalog Number
Enamine	EN300-99142

Database	Data ID
PubChem	73994858

M. W.

351.22552

CAS

Similarity

N/A

ID: 286321

methyl 5-(4-bromophenyl)-3-(chlorosulfonyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8BrClO4S2

Suppliers	Catalog Number
Enamine	EN300-99143

Database	Data ID
PubChem	71579552

M. W.

395.67652

CAS

Similarity

N/A

ID: 286322

ethyl(2-methylbutyl)amine hydrochloride

$$$$ Data

M. F.

C7H18ClN

Suppliers	Catalog Number
Enamine	EN300-99144

Database	Data ID
PubChem	18769851

M. W.

151.67752

CAS

Similarity

N/A

ID: 286323

2,3-dimethylpyrrolidine hydrochloride

$$$$ Data

M. F.

C6H14ClN

Suppliers	Catalog Number
Enamine	EN300-99145

Database	Data ID
PubChem	72149977

M. W.

135.63506

CAS

Similarity

N/A

ID: 286324

2,2-dimethyl-1-(2-methylphenyl)propan-1-one

$$$$ Data

M. F.

C12H16O

Suppliers	Catalog Number
Enamine	EN300-99146

Database	Data ID
PubChem	5148232

M. W.

176.25484

CAS

Similarity

N/A

ID: 286325

1-cyclopropylpiperazin-2-one

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Enamine	EN300-99147
A&J Pharmtech	AJA-O26268

Database	Data ID
PubChem	53414037

M. W.

140.18298

CAS

907972-23-0

Similarity

N/A

ID: 286326

1-methoxy-3-phenylpropan-2-one

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Enamine	EN300-99148

Database	Data ID
PubChem	11744971

M. W.

164.20108

CAS

Similarity

N/A

ID: 286327

1-(3-fluorophenyl)-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C11H13FO

Suppliers	Catalog Number
Enamine	EN300-99149

Database	Data ID
PubChem	24724071

M. W.

180.2187232

CAS

Similarity

N/A

ID: 286328

2,2-dimethyl-1-(3-methylphenyl)propan-1-one

$$$$ Data

M. F.

C12H16O

Suppliers	Catalog Number
Enamine	EN300-99150

Database	Data ID
PubChem	14250269

M. W.

176.25484

CAS

Similarity

N/A

ID: 286329

1-(3-methoxyphenyl)-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Enamine	EN300-99151

Database	Data ID
PubChem	24724064

M. W.

192.25424

CAS

Similarity

N/A

ID: 286330

2-methylpent-4-yn-2-ol

$$$$ Data

M. F.

C6H10O

Suppliers	Catalog Number
Enamine	EN300-99152

Database	Data ID
PubChem	234735

M. W.

98.143

CAS

Similarity

N/A

ID: 286331

1-bromo-6-fluoro-2,3-dihydro-1H-indene

$$$$ Data

M. F.

C9H8BrF

Suppliers	Catalog Number
Enamine	EN300-99153

Database	Data ID
PubChem	61384892

M. W.

215.0622232

CAS

Similarity

N/A

ID: 286332

1-(2-methoxyphenyl)-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Enamine	EN300-99154

Database	Data ID
PubChem	12861165

M. W.

192.25424

CAS

Similarity

N/A

ID: 286333

3-[(4,5-dimethyl-1H-imidazol-1-yl)methyl]aniline

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Enamine	EN300-99156

Database	Data ID
PubChem	62351420

M. W.

201.2676

CAS

Similarity

N/A

ID: 286334

N,2-dimethyl-4-(morpholine-4-carbonyl)aniline

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Enamine	EN300-99157

Database	Data ID
PubChem	55163049

M. W.

234.29422

CAS

Similarity

N/A

ID: 286335

[(2-bromophenyl)sulfamoyl]dimethylamine

$$$$ Data

M. F.

C8H11BrN2O2S

Suppliers	Catalog Number
Enamine	EN300-99158

Database	Data ID
PubChem	5020191

M. W.

279.15414

CAS

Similarity

N/A

ID: 286336

2-N,2-N-dimethylpyridine-2,4-diamine

$$$$ Data

M. F.

C7H11N3

Suppliers	Catalog Number
Enamine	EN300-99159

Database	Data ID
PubChem	22727417

M. W.

137.18234

CAS

Similarity

N/A

ID: 286337

2-(2-phenylethyl)cyclopentan-1-one

$$$$ Data

M. F.

C13H16O

Suppliers	Catalog Number
Enamine	EN300-99160

Database	Data ID
PubChem	10081183

M. W.

188.26554

CAS

Similarity

N/A

ID: 286338

3-methylpyrrolidin-3-ol

$$$$ Data

M. F.

C5H11NO

Suppliers	Catalog Number
Enamine	EN300-99161
Bide Pharmatech	BD170972

Database	Data ID
PubChem	14578458

M. W.

101.14694

CAS

125032-87-3

Similarity

N/A

ID: 286339

2-amino-N-(1-methylcyclohexyl)acetamide

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Enamine	EN300-99162

Database	Data ID
PubChem	23454139

M. W.

170.25202

CAS

Similarity

N/A

ID: 286340

2-hydroxy-N-(2,2,2-trifluoroethyl)acetamide

$$$$ Data

M. F.

C4H6F3NO2

Suppliers	Catalog Number
Enamine	EN300-99163

Database	Data ID
PubChem	43558907

M. W.

157.0911496

CAS

Similarity

N/A

ID: 286341

4,4-dimethyl-1λ⁶,2-thiazetidine-1,1,3-trione

$$$$ Data

M. F.

C4H7NO3S

Suppliers	Catalog Number
Enamine	EN300-99172

Database	Data ID
PubChem	12225145

M. W.

149.16828

CAS

Similarity

N/A

ID: 286342

2-(chlorosulfonyl)-2-methylpropanoyl chloride

$$$$ Data

M. F.

C4H6Cl2O3S

Suppliers	Catalog Number
Enamine	EN300-99174

Database	Data ID
PubChem	11052755

M. W.

205.05964

CAS

Similarity

N/A

ID: 286343

methyl 2-(chlorosulfonyl)-2-methylpropanoate

$$$$ Data

M. F.

C5H9ClO4S

Suppliers	Catalog Number
Enamine	EN300-99175

Database	Data ID
PubChem	12225107

M. W.

200.64056

CAS

Similarity

N/A

ID: 286344

ethyl 2-(chlorosulfonyl)-2-methylpropanoate

$$$$ Data

M. F.

C6H11ClO4S

Suppliers	Catalog Number
Enamine	EN300-99176

Database	Data ID
PubChem	12225108

M. W.

214.66714

CAS

Similarity

N/A

ID: 286345

propan-2-yl 2-(chlorosulfonyl)-2-methylpropanoate

$$$$ Data

M. F.

C7H13ClO4S

Suppliers	Catalog Number
Enamine	EN300-99177

Database	Data ID
PubChem	73994859

M. W.

228.69372

CAS

Similarity

N/A

ID: 286346

sodium 1H-1,2,3-triazol-5-ylsulfanide

$$$$ Data

M. F.

C2H2N3NaS

Suppliers	Catalog Number
Enamine	EN300-99196

Database	Data ID
PubChem	23685427

M. W.

123.11215

CAS

Similarity

N/A

ID: 286347

1-methyl-1,2,3,4-tetrahydroquinoxalin-2-one

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Enamine	EN300-99205

Database	Data ID
PubChem	21297195

M. W.

162.1885

CAS

Similarity

N/A

ID: 286348

3-(1,3-benzothiazol-2-yl)butan-2-one

$$$$ Data

M. F.

C11H11NOS

Suppliers	Catalog Number
Enamine	EN300-99207

Database	Data ID
PubChem	234260

M. W.

205.27614

CAS

Similarity

N/A

ID: 286349

2-ethyl-1H-imidazole-4-carboxylic acid

$$$$ Data

M. F.

C6H8N2O2

Suppliers	Catalog Number
Enamine	EN300-99208
A&J Pharmtech	AJA-O30653

Database	Data ID
PubChem	578816

M. W.

140.13992

CAS

Similarity

N/A

ID: 286350

ethyl 2-(4-cyanophenoxy)acetate

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Enamine	EN300-99209
A&J Pharmtech	AJA-O35277

Database	Data ID
PubChem	207426

M. W.

205.20994

CAS

30041-95-3

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