chempirical

2-Mercapto-5-methoxybenzimidazole

C8H8N2OSCAS 37052-78-1180.23 g/mol

Open in Covalent MOL file
ONSHNH
EtherThiol

Properties

Molecular formula
C8H8N2OS
Molar mass
180.23 g/mol
Exact mass
180.0357 Da
Melting point
255–256 °C
logP
1.86Crippen estimate
Polar surface area
37.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
37052-78-1
SMILES
COc1ccc2nc(S)[nH]c2c1
InChIKey
KOFBRZWVWJCLGM-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)

Weigh it out

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

Names and synonyms

11 names
  • 5-Methoxy-2-mercaptobenzimidazole
  • 5-Methoxy-1H-benzo[d]imidazole-2(3H)-thione
  • 5-Methoxy-1H-benzoimidazole-2-thiol
  • 2-Thio-5-methoxy-1H-benzimidazole
  • 1,3-Dihydro-5-methoxybenzimidazole-2-thione
  • 5-Methoxy-2-mercapto-1H-benzimidazole
  • 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methoxy-
  • 1,3-Dihydro-5-methoxy-2H-benzimidazole-2-thione
  • 5-Methoxy-2-benzimidazolethiol
  • 2-Mercapto-5-methoxy-1H-benzimidazole
  • 5-Methoxy-1H-benzimidazole-2-thiol

Work with 2-Mercapto-5-methoxybenzimidazole

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-Ethoxy-2-mercaptobenzimidazole55489-15-166 % similar 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole97963-62-766 % similar 2-Mercapto-5-methylbenzimidazole27231-36-358 % similar 5-Chloro-2-mercaptobenzimidazole25369-78-254 % similar 5-Amino-2-mercaptobenzimidazole2818-66-854 % similar 1,3-Dihydro-5-methoxy-2H-imidazo[4,5-B]pyridine-2-thione113713-60-351 % similar 5-Methoxybenzimidazole4887-80-350 % similar Mercaptobenzimidazole583-39-149 % similar

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

Same formula

2-Amino-6-methoxybenzothiazole1747-60-0 5-Methoxy-2-benzothiazolamine54346-87-1 4-Methoxy-2-benzothiazolamine5464-79-9 Benzoylthiourea614-23-3

Elsewhere

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