chempirical

5-Amino-2-mercaptobenzimidazole

C7H7N3SCAS 2818-66-8165.21 g/mol

Open in Covalent MOL file
H2NNSHNH
Primary amineThiol

Properties

Molecular formula
C7H7N3S
Molar mass
165.21 g/mol
Exact mass
165.0361 Da
Melting point
280 °C (decomposes)
logP
1.43Crippen estimate
Polar surface area
54.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
2818-66-8
SMILES
Nc1ccc2nc(S)[nH]c2c1
InChIKey
BXDMTLVCACMNJO-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(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-amino-1,3-dihydro-
  • 2-Benzimidazolethiol, 5-amino-
  • 2-Benzimidazolethiol, 5(or 6)-amino-
  • 5-Amino-1,3-dihydro-2H-benzimidazole-2-thione
  • 5-Amino-2-benzimidazolethiol
  • 6-Amino-2-mercaptobenzimidazole
  • NSC 3984
  • 2-Mercapto-1H-benzo[d]imidazol-5-amine
  • 5-Amino-1H-benzo[d]imidazole-2-thiol

Work with 5-Amino-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

5-Chloro-2-mercaptobenzimidazole25369-78-259 % similar 2-Mercapto-5-methylbenzimidazole27231-36-359 % similar 5-Amino-2-benzimidazolinone95-23-859 % similar 5-Amino-2-(trifluoromethyl)benzimidazole3671-66-754 % 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

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

Same formula

2-Hydrazinylbenzothiazole615-21-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook