chempirical

2-(Methylthio)benzimidazole

C8H8N2SCAS 7152-24-1164.23 g/mol

Open in Covalent MOL file
SNNH
Sulfide

Properties

Molecular formula
C8H8N2S
Molar mass
164.23 g/mol
Exact mass
164.0408 Da
Melting point
203 °C
logP
2.28Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
7152-24-1
SMILES
CSc1nc2ccccc2[nH]1
InChIKey
OCKJFOHZLXIAAT-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)

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

Names and synonyms

9 names
  • 1H-Benzimidazole, 2-(methylthio)-
  • Benzimidazole, 2-(methylthio)-
  • 2-(Methylthio)-1H-benzimidazole
  • S-Methyl-2-mercaptobenzimidazole
  • 2-Methylmercaptobenzimidazole
  • NSC 21699
  • 2-(Methylsulfanyl)benzimidazole
  • 2-(Methylsulfanyl)-1H-benzimidazole
  • 2-(Methylsulfanyl)-1H-1,3-benzodiazole

Work with 2-(Methylthio)benzimidazole

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-Chlorobenzimidazole4857-06-152 % similar 2-Methylbenzimidazole615-15-652 % similar Fuberidazole3878-19-150 % similar 2-Ethylbenzimidazole1848-84-648 % similar 2-Phenylbenzimidazole716-79-048 % similar 2-Isopropylbenzimidazole5851-43-447 % similar Mercaptobenzimidazole583-39-147 % similar 2-Benzimidazolinone615-16-747 % similar

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

Same formula

5-Amino-2-methylbenzothiazole13382-43-9 2-Amino-4-methylbenzothiazole1477-42-5 5-Methyl-2-benzothiazolamine14779-17-0 2-Amino-6-methylbenzothiazole2536-91-6 2-Mercapto-5-methylbenzimidazole27231-36-3 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-6

Elsewhere

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