chempirical

Methyl-2-mercaptobenzimidazole

C8H8N2SCAS 53988-10-6164.23 g/mol

Open in Covalent MOL file
NHSNH

Properties

Molecular formula
C8H8N2S
Molar mass
164.23 g/mol
Exact mass
164.0408 Da
logP
2.53Crippen estimate
Polar surface area
31.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53988-10-6
SMILES
CC1=C2C(=CC=C1)NC(=S)N2
InChIKey
UDQCDDZBBZNIFA-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)

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Names and synonyms

18 names · show all
  • 2H-Benzimidazole-2-thione, 1,3-dihydro-4(or 5)-methyl-
  • 1,3-Dihydro-4(or 5)-methyl-2H-benzimidazole-2-thione
  • 4(Or 5)-Methyl-2-benzimidazolethiol
  • Vanox MTI
  • Vulkanox MB 2
  • Nocrac MMB
  • 2-Mercaptomethylbenzimidazole
  • 2-Mercaptotolylimidazole
  • MTI
  • 2-Mercaptotoluimidazole
  • Antioxidant MMB
  • Vulkanox MG-C
  • Vulkanox MB 2MG
  • MMBI
  • Antioxidant MMBI
  • Rhenogran MMBI 70
  • MMB
  • MB 2MG

Work with Methyl-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

4-Methylindole16096-32-538 % similar 7-Methylindole933-67-538 % similar 7-Methyl-1H-indole-3-carbaldehyde4771-50-035 % similar 1,2,3-Trimethylbenzene526-73-834 % similar 1,5-Dimethylnaphthalene571-61-934 % similar 3-Methyl-isatoic anhydride66176-17-834 % similar 2,6-Dimethylbenzaldehyde1123-56-433 % similar 5-(1H-Pyrrol-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione172152-53-333 % 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-Methyl-1,3-benzothiazol-6-amine2941-62-0 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-6 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carbonitrile70291-62-2

Elsewhere

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