chempirical

2-Mercapto-5-methylbenzimidazole

C8H8N2SCAS 27231-36-3164.23 g/mol

Open in Covalent MOL file
NSHNH
Thiol

Properties

Molecular formula
C8H8N2S
Molar mass
164.23 g/mol
Exact mass
164.0408 Da
Melting point
290–292 °C
logP
2.16Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
27231-36-3
SMILES
Cc1ccc2nc(S)[nH]c2c1
InChIKey
CWIYBOJLSWJGKV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)

Weigh it out

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

Names and synonyms

12 names
  • 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
  • 2-Benzimidazolinethione, 5-methyl-
  • 2-Benzimidazolethiol, 5(or 6)-methyl-
  • 1,3-Dihydro-5-methyl-2H-benzimidazole-2-thione
  • 5-Methyl-2-mercaptobenzimidazole
  • 5-Methylbenzimidazole-2-thiol
  • 5-Methylbenzimidazoline-2-thione
  • 2-Mercapto-5-methyl-1H-benzimidazole
  • NSC 231400
  • 5-Methyl-2-mercapto-1H-benzimidazole
  • 5-Methyl-1H-benzimidazole-2-thiol
  • 2-Mercapto-5-methylbenzimidaole

Work with 2-Mercapto-5-methylbenzimidazole

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

5-Chloro-2-mercaptobenzimidazole25369-78-259 % similar 5-Amino-2-mercaptobenzimidazole2818-66-859 % similar 2-Mercapto-5-methoxybenzimidazole37052-78-158 % similar 5-Ethoxy-2-mercaptobenzimidazole55489-15-154 % similar 2-Mercapto-5-nitrobenzimidazole6325-91-354 % similar Mercaptobenzimidazole583-39-153 % similar 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole97963-62-750 % similar 5-Methylbenzotriazole136-85-646 % 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-4,6-dimethylnicotinonitrile54585-47-6 2-(Methylthio)benzimidazole7152-24-1

Elsewhere

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