chempirical

5-Ethoxy-2-mercaptobenzimidazole

C9H10N2OSCAS 55489-15-1194.25 g/mol

Open in Covalent MOL file
ONSHNH
EtherThiol

Properties

Molecular formula
C9H10N2OS
Molar mass
194.25 g/mol
Exact mass
194.0514 Da
Melting point
244 °C
logP
2.25Crippen estimate
Polar surface area
37.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
55489-15-1
SMILES
CCOc1ccc2nc(S)[nH]c2c1
InChIKey
WUSCBOFBIYZVCQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)

Weigh it out

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

Names and synonyms

5 names
  • 2H-Benzimidazole-2-thione, 5-ethoxy-1,3-dihydro-
  • 5-Ethoxy-1,3-dihydro-2H-benzimidazole-2-thione
  • 5-Ethoxy-1H-benzimidazole-2-thiol
  • 5-Ethoxybenzimidazole-2-thiol
  • 2-Mercapto-5-ethoxybenzimidazole

Work with 5-Ethoxy-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

2-Mercapto-5-methoxybenzimidazole37052-78-166 % similar 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole97963-62-757 % similar 2-Mercapto-5-methylbenzimidazole27231-36-354 % similar Afobazole173352-21-151 % similar 6-Ethoxy-2-mercaptobenzothiazole120-53-650 % similar 5-Chloro-2-mercaptobenzimidazole25369-78-250 % similar 5-Amino-2-mercaptobenzimidazole2818-66-850 % similar 6-Ethoxy-2-methylquinoline6628-28-045 % similar

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

Same formula

2-Amino-6-ethoxybenzothiazole94-45-1

Elsewhere

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