5-Chloro-2-mercaptobenzimidazole

C₇H₅ClN₂SCAS 25369-78-2184.64 g/mol

Open in Covalent MOL file

Aryl halide Thiol

Properties

Molecular formula: C₇H₅ClN₂S
Molar mass: 184.64 g/mol
Exact mass: 183.9862 Da
Melting point: 305 °C (decomposes)
logP: 2.50Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

25369-78-2

SMILES

Sc1nc2ccc(Cl)cc2[nH]1

InChIKey

ZZIHEYOZBRPWMB-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

2H-Benzimidazole-2-thione, 5-chloro-1,3-dihydro-
2-Benzimidazolethiol, 5(or 6)-chloro-
5-Chloro-1,3-dihydro-2H-benzimidazole-2-thione
5-Chlorobenzimidazole-2-thiol
5-Chloro-2-mercapto-1H-benzimidazole
NSC 35063
NSC 45283
5-Chloro-1H-benzoimidazole-2-thione
2-Benzimidazolethiol, 5-chloro-

Work with 5-Chloro-2-mercaptobenzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Mercapto-5-methylbenzimidazole27231-36-359 % similar 5-Amino-2-mercaptobenzimidazole2818-66-859 % similar 5-Chloro-2-methylbenzimidazole2818-69-159 % similar 2-Mercapto-5-methoxybenzimidazole37052-78-154 % similar Mercaptobenzimidazole583-39-153 % similar 5-Ethoxy-2-mercaptobenzimidazole55489-15-150 % similar 2-Mercapto-5-nitrobenzimidazole6325-91-350 % similar 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole97963-62-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-8 2-Amino-4-chlorobenzothiazole19952-47-7 5-Chloro-2-benzothiazolamine20358-00-3 4-Chloro-5-methylthieno[2,3-D]pyrimidine43088-67-1 2-Amino-6-chlorobenzothiazole95-24-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook