chempirical

1H-Benzimidazole-2-sulfonic acid

C7H6N2O3SCAS 40828-54-4198.20 g/mol

Open in Covalent MOL file
OSOOHNNH
Sulfonic acid

Properties

Molecular formula
C7H6N2O3S
Molar mass
198.20 g/mol
Exact mass
198.0099 Da
Melting point
365 °C
logP
0.81Crippen estimate
Polar surface area
83.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
40828-54-4
SMILES
O=S(=O)(O)c1nc2ccccc2[nH]1
InChIKey
GWXQTTKUYBEZBP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12)

Weigh it out

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

Names and synonyms

3 names
  • 2-Benzimidazolesulfonic acid
  • 1H-Benzoimidazole-2-sulfonic acid
  • 1H-1,3-Benzodiazole-2-sulfonic acid

Work with 1H-Benzimidazole-2-sulfonic acid

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

Ensulizole27503-81-748 % similar 2-Chlorobenzimidazole4857-06-147 % similar 2-Benzimidazolinone615-16-747 % similar 1H-Benzimidazole-2-methanol4856-97-744 % similar 2-Phenylbenzimidazole716-79-044 % similar 1H-Benzimidazole-2-carboxylic acid2849-93-644 % similar Benzimidazolethiol zinc salt3030-80-643 % similar 2-(Trifluoromethyl)-1H-benzimidazole312-73-243 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook