chempirical

Mercaptobenzimidazole

C7H6N2SCAS 583-39-1150.20 g/mol

Open in Covalent MOL file
HSNNH
Thiol

Properties

Molecular formula
C7H6N2S
Molar mass
150.20 g/mol
Exact mass
150.0252 Da
Melting point
298 °C
logP
1.85Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
2 / 2
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
583-39-1
SMILES
Sc1nc2ccccc2[nH]1
InChIKey
YHMYGUUIMTVXNW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)

Weigh it out

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

Names and synonyms

42 names · show all
  • 2H-Benzimidazole-2-thione, 1,3-dihydro-
  • 2-Benzimidazolethiol
  • 2-Benzimidazolinethione
  • 1,3-Dihydro-2H-benzimidazole-2-thione
  • 2-Mercaptobenzimidazole
  • 1H-Benzimidazole-2-thiol
  • ASM MB
  • 2-Thiobenzimidazole
  • Antioxidant MB
  • o-Phenylenethiourea
  • Antigene MB
  • Permanax 21
  • 2-Benzimidazolethione
  • Vulkanox MB
  • AO-MB
  • Nocrac MB
  • Vulkanox MBI
  • G 580
  • 2-Mercapto-1H-benzimidazole
  • Antioxidant MB/K
  • MB/K
  • Antage MB
  • Sumilizer MB
  • MB
  • 2,3-Dihydro-1H-benzimidazole-2-thione
  • Nonflex MB
  • 1,3-Dihydro-2H-benzoimidazole-2-thione
  • NSC 186246
  • NSC 21414
  • Benzimidazolin-2-thione
  • Sandant MB
  • Vulkanox MG
  • 1H-Benzo[d]imidazole-2(3H)-thione
  • Curekind MBI/B
  • 1H-Benzo[d]imidazole-2-thiol
  • 2-Sulfhydrylbenzimidazole
  • MBI 80
  • Rhenogran MBI 80
  • 1,3-Dihydrobenzimidazole-2-thione
  • 1H-Benzoimidazole-2-thiol
  • 1H-1,3-Benzodiazole-2-thiol
  • 1,3-Dihydro-benzoimidazole-2-thione

Reactions

Work with 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzimidazolethiol zinc salt3030-80-6Salt

Similar compounds

2-Phenylbenzimidazole716-79-059 % similar 2,6-Bis(2-benzimidazolyl)pyridine28020-73-757 % similar 2-(4-Pyridyl)benzimidazole2208-59-553 % similar 5-Chloro-2-mercaptobenzimidazole25369-78-253 % similar 2-Mercapto-5-methylbenzimidazole27231-36-353 % similar 5-Amino-2-mercaptobenzimidazole2818-66-853 % similar 2-Chlorobenzimidazole4857-06-152 % similar 2-Bromo-1H-benzimidazole54624-57-652 % similar

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

Same formula

Benzothiazol-5-amine1123-93-9 2-Aminobenzothiazole136-95-8 4-Isothiocyanatobenzenamine15191-25-0 3-(2-Thienyl)-1H-pyrazole19933-24-5 [(4-Aminophenyl)sulfanyl]formonitrile2987-46-4 6-Benzothiazolamine533-30-2

Elsewhere

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