Cas no 106135-27-7 (6-methyl-1H-Benzimidazole-2-sulfonic acid)

6-methyl-1H-Benzimidazole-2-sulfonic acid structure
106135-27-7 structure
Product Name:6-methyl-1H-Benzimidazole-2-sulfonic acid
CAS No:106135-27-7
MF:C8H8N2O3S
MW:212.225720405579
CID:1097762
PubChem ID:2254367
Update Time:2025-04-20

6-methyl-1H-Benzimidazole-2-sulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 6-methyl-1H-Benzimidazole-2-sulfonic acid
    • 5(6)-methyl-2-benzimidazolesulphonic acid
    • SCHEMBL16134494
    • SMR000069981
    • 106135-27-7
    • AM805928
    • MLS000061650
    • CHEMBL1565775
    • 5-methyl-1H-benzimidazole-2-sulfonic acid
    • 5-Methyl-1H-benzo[d]imidazole-2-sulfonic acid
    • Cambridge id 5648649
    • STK213105
    • HMS2459P13
    • 5-Methyl-1H-benzo[d]imidazole-2-sulfonicacid
    • AKOS000275565
    • AKOS005417190
    • MDL: MFCD00965567
    • Inchi: 1S/C8H8N2O3S/c1-5-2-3-6-7(4-5)10-8(9-6)14(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)
    • InChI Key: VYVPLRUXEMIVCN-UHFFFAOYSA-N
    • SMILES: S(C1=NC2C=CC(C)=CC=2N1)(=O)(=O)O

Computed Properties

  • Exact Mass: 212.02564
  • Monoisotopic Mass: 212.026
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 311
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 91.4A^2

Experimental Properties

  • PSA: 83.05
  • LogP: 2.19880

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