Chembase list of 866358 unique molecular structures

2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}acetic acid

$$$$ Data

M. F.

C15H13ClO2S

Suppliers	Catalog Number
Enamine	EN300-09313

Database	Data ID
PubChem	3607383

M. W.

292.78052

CAS

Similarity

N/A

ID: 234302

5-chloro-1-(2,5-dimethylphenyl)-3-methyl-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C13H13ClN2O

Suppliers	Catalog Number
Enamine	EN300-09314

Database	Data ID
PubChem	2084041

M. W.

248.70812

CAS

Similarity

N/A

ID: 234303

(2E)-4-[4-(3-nitrobenzenesulfonyl)piperazin-1-yl]-4-oxobut-2-enoic acid

$$$$ Data

M. F.

C14H15N3O7S

Suppliers	Catalog Number
Enamine	EN300-09316

Database	Data ID
PubChem	6246584

M. W.

369.3498

CAS

Similarity

N/A

ID: 234304

1-(furan-2-ylmethyl)imidazolidine-2,4,5-trione

$$$$ Data

M. F.

C8H6N2O4

Suppliers	Catalog Number
Enamine	EN300-09317

Database	Data ID
PubChem	2098017

M. W.

194.14424

CAS

Similarity

N/A

ID: 234305

6,7-dihydro-5H-spiro[1-benzothiophene-4,4'-imidazolidine]-2',5'-dione

$$$$ Data

M. F.

C10H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-09319

Database	Data ID
PubChem	3870362

M. W.

222.2636

CAS

69300-50-1

Similarity

N/A

ID: 234306

2-(2-bromobenzenesulfonamido)acetic acid

$$$$ Data

M. F.

C8H8BrNO4S

Suppliers	Catalog Number
Enamine	EN300-09320

Database	Data ID
PubChem	2098022

M. W.

294.12242

CAS

Similarity

N/A

ID: 234307

1-(2-bromobenzenesulfonyl)piperazine

$$$$ Data

M. F.

C10H13BrN2O2S

Suppliers	Catalog Number
Enamine	EN300-09322

Database	Data ID
PubChem	2098016

M. W.

305.19142

CAS

Similarity

N/A

ID: 234308

3-{[(4-chlorophenyl)sulfanyl]methyl}benzoic acid

$$$$ Data

M. F.

C14H11ClO2S

Suppliers	Catalog Number
Enamine	EN300-09323

Database	Data ID
PubChem	3744050

M. W.

278.75394

CAS

30082-41-8

Similarity

N/A

ID: 234309

3-{[(2,4-dimethylphenyl)sulfanyl]methyl}benzoic acid

$$$$ Data

M. F.

C16H16O2S

Suppliers	Catalog Number
Enamine	EN300-09324

Database	Data ID
PubChem	3793163

M. W.

272.36204

CAS

Similarity

N/A

ID: 234310

(2E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid

$$$$ Data

M. F.

C14H18O4

Suppliers	Catalog Number
Enamine	EN300-09326

Database	Data ID
PubChem	2098038

M. W.

250.29032

CAS

Similarity

N/A

ID: 234311

4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoic acid

$$$$ Data

M. F.

C10H12O3S

Suppliers	Catalog Number
Enamine	EN300-09327

Database	Data ID
PubChem	298611

M. W.

212.26548

CAS

6007-77-8

Similarity

N/A

ID: 234312

2-(azepan-1-yl)-5-chloroaniline hydrochloride

$$$$ Data

M. F.

C12H18Cl2N2

Suppliers	Catalog Number
Enamine	EN300-09328

Database	Data ID
PubChem	16196692

M. W.

261.19072

CAS

Similarity

N/A

ID: 234313

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide

$$$$ Data

M. F.

C8H9ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-09329

Database	Data ID
PubChem	2098040

M. W.

232.68726

CAS

32519-70-3

Similarity

N/A

ID: 234314

(2E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoic acid

$$$$ Data

M. F.

C12H14O4

Suppliers	Catalog Number
Enamine	EN300-09330

Database	Data ID
PubChem	2098044

M. W.

222.23716

CAS

Similarity

N/A

ID: 234315

2-methyl-1-phenyl-1H-1,3-benzodiazol-5-amine hydrochloride

$$$$ Data

M. F.

C14H14ClN3

Suppliers	Catalog Number
Enamine	EN300-09333

Database	Data ID
PubChem	43405456

M. W.

259.73406

CAS

3018-68-6

Similarity

N/A

ID: 234316

6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxylic acid

$$$$ Data

M. F.

C8H10N2O3

Suppliers	Catalog Number
Enamine	EN300-09334

Database	Data ID
PubChem	2119245

M. W.

182.1766

CAS

Similarity

N/A

ID: 234317

2-chloro-N-{[(2,3,4-trifluorophenyl)carbamoyl]methyl}acetamide

$$$$ Data

M. F.

C10H8ClF3N2O2

Suppliers	Catalog Number
Enamine	EN300-09335

Database	Data ID
PubChem	2098025

M. W.

280.6309296

CAS

Similarity

N/A

ID: 234318

2-(2-propoxyphenoxy)acetic acid

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
Enamine	EN300-09337

Database	Data ID
PubChem	2103125

M. W.

210.22646

CAS

Similarity

N/A

ID: 234319

[(3-methoxy-4-propoxyphenyl)methyl](propyl)amine hydrochloride

$$$$ Data

M. F.

C14H24ClNO2

Suppliers	Catalog Number
Enamine	EN300-09338

Database	Data ID
PubChem	2992156

M. W.

273.79886

CAS

Similarity

N/A

ID: 234320

[3-(dimethylamino)propyl][(3-methoxy-4-propoxyphenyl)methyl]amine dihydrochlorid...

$$$$ Data

M. F.

C16H30Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-09339

Database	Data ID
PubChem	16242600

M. W.

353.3276

CAS

Similarity

N/A

ID: 234321

2-(2-chloro-6-ethoxy-4-formylphenoxy)-N,N-dimethylacetamide

$$$$ Data

M. F.

C13H16ClNO4

Suppliers	Catalog Number
Enamine	EN300-09340

Database	Data ID
PubChem	2103130

M. W.

285.72344

CAS

Similarity

N/A

ID: 234322

[(3,4-dimethoxyphenyl)methyl](thiophen-2-ylmethyl)amine hydrochloride

$$$$ Data

M. F.

C14H18ClNO2S

Suppliers	Catalog Number
Enamine	EN300-09341

Database	Data ID
PubChem	2960107

M. W.

299.81622

CAS

Similarity

N/A

ID: 234323

4-chloro-2-[(2E)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobut...

$$$$ Data

M. F.

C13H12ClN3O

Suppliers	Catalog Number
Enamine	EN300-09342

Database	Data ID
PubChem	2119242

M. W.

261.70688

CAS

Similarity

N/A

ID: 234324

2λ⁴,1,3-benzothiadiazole-4-sulfonyl chloride

$$$$ Data

M. F.

C6H3ClN2O2S2

Suppliers	Catalog Number
Enamine	EN300-09343

Database	Data ID
PubChem	2735459

M. W.

234.68322

CAS

73713-79-8

Similarity

N/A

ID: 234325

2-chloro-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]ethan-1-one

$$$$ Data

M. F.

C10H11ClF3NO

Suppliers	Catalog Number
Enamine	EN300-09345

Database	Data ID
PubChem	2103138

M. W.

253.6486496

CAS

Similarity

N/A

ID: 234326

4-ethoxy-2-(prop-2-en-1-yl)phenol

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
Enamine	EN300-09347

Database	Data ID
PubChem	2104078

M. W.

178.22766

CAS

142875-24-9

Similarity

N/A

ID: 234327

[2-(4-chlorophenoxy)ethyl]hydrazine hydrochloride

$$$$ Data

M. F.

C8H12Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-09348

Database	Data ID
PubChem	3053302

M. W.

223.09968

CAS

69782-24-7

Similarity

N/A

ID: 234328

(butan-2-yl)urea

$$$$ Data

M. F.

C5H12N2O

Suppliers	Catalog Number
Enamine	EN300-09349

Database	Data ID
PubChem	12715

M. W.

116.16158

CAS

689-11-2

Similarity

N/A

ID: 234329

2-cyclopropaneamido-4-phenylthiophene-3-carboxylic acid

$$$$ Data

M. F.

C15H13NO3S

Suppliers	Catalog Number
Enamine	EN300-09352

Database	Data ID
PubChem	2097032

M. W.

287.33362

CAS

Similarity

N/A

ID: 234330

3-[(2-phenylphenyl)sulfamoyl]benzoic acid

$$$$ Data

M. F.

C19H15NO4S

Suppliers	Catalog Number
Enamine	EN300-09354

Database	Data ID
PubChem	2095484

M. W.

353.3917

CAS

Similarity

N/A

ID: 234331

3-[(2,2,2-trifluoroethyl)sulfamoyl]benzoic acid

$$$$ Data

M. F.

C9H8F3NO4S

Suppliers	Catalog Number
Enamine	EN300-09355

Database	Data ID
PubChem	4992775

M. W.

283.2243296

CAS

Similarity

N/A

ID: 234332

2-chloro-5-[cyclohexyl(methyl)sulfamoyl]benzoic acid

$$$$ Data

M. F.

C14H18ClNO4S

Suppliers	Catalog Number
Enamine	EN300-09356

Database	Data ID
PubChem	2119387

M. W.

331.81502

CAS

Similarity

N/A

ID: 234333

[2-(2-methylphenoxy)ethyl]hydrazine hydrochloride

$$$$ Data

M. F.

C9H15ClN2O

Suppliers	Catalog Number
Enamine	EN300-09357

Database	Data ID
PubChem	16242889

M. W.

202.6812

CAS

46055-16-7

Similarity

N/A

ID: 234334

[3-(propan-2-yloxy)propyl]urea

$$$$ Data

M. F.

C7H16N2O2

Suppliers	Catalog Number
Enamine	EN300-09358

Database	Data ID
PubChem	2103930

M. W.

160.21414

CAS

Similarity

N/A

ID: 234335

2-[4-(methylsulfanyl)-3-nitrobenzoyl]benzoic acid

$$$$ Data

M. F.

C15H11NO5S

Suppliers	Catalog Number
Enamine	EN300-09360

Database	Data ID
PubChem	2103938

M. W.

317.31654

CAS

Similarity

N/A

ID: 234336

4-(cyclopropylamino)-3-nitrobenzoic acid

$$$$ Data

M. F.

C10H10N2O4

Suppliers	Catalog Number
Enamine	EN300-09361

Database	Data ID
PubChem	4992776

M. W.

222.1974

CAS

Similarity

N/A

ID: 234337

2-{4-[(2-methylpropyl)sulfanyl]-3-nitrobenzenesulfonamido}acetic acid

$$$$ Data

M. F.

C12H16N2O6S2

Suppliers	Catalog Number
Enamine	EN300-09362

Database	Data ID
PubChem	4992784

M. W.

348.39524

CAS

Similarity

N/A

ID: 234338

4-[(3-methylbutyl)sulfanyl]-3-nitrobenzoic acid

$$$$ Data

M. F.

C12H15NO4S

Suppliers	Catalog Number
Enamine	EN300-09363

Database	Data ID
PubChem	2103934

M. W.

269.3168

CAS

Similarity

N/A

ID: 234339

2-[(1,1-dioxo-1λ⁶,2-benzothiazol-3-yl)amino]-3-methylbutanoic acid

$$$$ Data

M. F.

C12H14N2O4S

Suppliers	Catalog Number
Enamine	EN300-09364

Database	Data ID
PubChem	4992848

M. W.

282.31556

CAS

Similarity

N/A

ID: 234340

3-[3-(3-chlorophenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile

$$$$ Data

M. F.

C13H10ClN3O

Suppliers	Catalog Number
Enamine	EN300-09365

Database	Data ID
PubChem	4992849

M. W.

259.691

CAS

Similarity

N/A

ID: 234341

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile

$$$$ Data

M. F.

C10H6ClN3O

Suppliers	Catalog Number
Enamine	EN300-09366

Database	Data ID
PubChem	2507682

M. W.

219.62714

CAS

Similarity

N/A

ID: 234342

5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thiol

$$$$ Data

M. F.

C7H11N3OS

Suppliers	Catalog Number
Enamine	EN300-09367

Database	Data ID
PubChem	4830835

M. W.

185.24674

CAS

Similarity

N/A

ID: 234343

4-(4-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H15FN4S

Suppliers	Catalog Number
Enamine	EN300-09368

Database	Data ID
PubChem	4992861

M. W.

278.3484032

CAS

Similarity

N/A

ID: 234344

4-benzyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C14H18N4S

Suppliers	Catalog Number
Enamine	EN300-09369

Database	Data ID
PubChem	4992862

M. W.

274.38452

CAS

Similarity

N/A

ID: 234345

4-phenyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H16N4S

Suppliers	Catalog Number
Enamine	EN300-09370

Database	Data ID
PubChem	4992863

M. W.

260.35794

CAS

Similarity

N/A

ID: 234346

4-phenyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C14H18N4S

Suppliers	Catalog Number
Enamine	EN300-09371

Database	Data ID
PubChem	4994560

M. W.

274.38452

CAS

65924-80-3

Similarity

N/A

ID: 234347

4-benzyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C15H20N4S

Suppliers	Catalog Number
Enamine	EN300-09372

Database	Data ID
PubChem	4994561

M. W.

288.4111

CAS

Similarity

N/A

ID: 234348

4-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C14H17ClN4S

Suppliers	Catalog Number
Enamine	EN300-09373

Database	Data ID
PubChem	4994562

M. W.

308.82958

CAS

65924-81-4

Similarity

N/A

ID: 234349

4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C14H17FN4S

Suppliers	Catalog Number
Enamine	EN300-09374

Database	Data ID
PubChem	4994563

M. W.

292.3749832

CAS

Similarity

N/A

ID: 234350

2-chloro-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)-1H-pyrrol-3-yl]ethan-1-one

$$$$ Data

M. F.

C11H11ClN2OS

Suppliers	Catalog Number
Enamine	EN300-09375

Database	Data ID
PubChem	2103948

M. W.

254.73584

CAS

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