5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole

C8H6F2N2OSCAS 97963-62-7216.21 g/mol

Open in Covalent MOL file
FFONSHNH
Alkyl halideEtherThiol

Properties

Molecular formula
C8H6F2N2OS
Molar mass
216.21 g/mol
Exact mass
216.0169 Da
Melting point
141–161 °C (decomposes)
logP
2.45Crippen estimate
Polar surface area
37.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
97963-62-7
SMILES
FC(F)Oc1ccc2nc(S)[nH]c2c1
InChIKey
HJMVPNAZPFZXCP-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)

Weigh it out

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

Names and synonyms

6 names
  • 2H-Benzimidazole-2-thione, 5-(difluoromethoxy)-1,3-dihydro-
  • 5-(Difluoromethoxy)-1,3-dihydro-2H-benzimidazole-2-thione
  • 5-Difluoromethoxy-2-mercaptobenzimidazole
  • 2-Mercapto-5-difluoromethoxy-1H-benzimidazole
  • SKA 47
  • 5-(Difluoromethoxy)-1H-benzimidazole-2-thiol

Work with 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole

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-Ethoxy-2-mercaptobenzimidazole55489-15-157 % similar 5-Chloro-2-mercaptobenzimidazole25369-78-250 % similar 2-Mercapto-5-methylbenzimidazole27231-36-350 % similar 5-Amino-2-mercaptobenzimidazole2818-66-850 % similar Mercaptobenzimidazole583-39-145 % similar 2-Mercapto-5-nitrobenzimidazole6325-91-343 % similar Pantoprazole sulfide102625-64-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook