Cas no 106135-29-9 (1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)-)

1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)- structure
106135-29-9 structure
Product Name:1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)-
CAS No:106135-29-9
MF:C8H7N3O4S
MW:241.223880052567
CID:1174754
PubChem ID:13682666
Update Time:2025-04-20

1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)-
    • SCHEMBL16134512
    • DTXSID601229552
    • 106135-29-9
    • 6-(Aminocarbonyl)-1H-benzimidazole-2-sulfonic acid
    • Inchi: 1S/C8H7N3O4S/c9-7(12)4-1-2-5-6(3-4)11-8(10-5)16(13,14)15/h1-3H,(H2,9,12)(H,10,11)(H,13,14,15)
    • InChI Key: LAXWNLJDVGOOQI-UHFFFAOYSA-N
    • SMILES: S(C1=NC2C=CC(C(N)=O)=CC=2N1)(=O)(=O)O

Computed Properties

  • Exact Mass: 241.01572689g/mol
  • Monoisotopic Mass: 241.01572689g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 391
  • 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: -0.6
  • Topological Polar Surface Area: 135?2
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