Cas no 5857-96-5 (3,5-diamino-4-hydroxybenzenesulfonic acid)

3,5-diamino-4-hydroxybenzenesulfonic acid structure
5857-96-5 structure
Product Name:3,5-diamino-4-hydroxybenzenesulfonic acid
CAS No:5857-96-5
MF:C6H8N2O4S
MW:204.203720092773
CID:948728
PubChem ID:18398331
Update Time:2025-04-19

3,5-diamino-4-hydroxybenzenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-diamino-4-hydroxybenzenesulfonic acid
    • 2.6-Diamino-phenol-sulfonsaeure-(4)
    • 3,5-diamino-4-hydroxy-benzenesulfonic acid
    • 3,5-Diamino-4-hydroxy-benzolsulfonsaeure
    • DTXSID70593373
    • 5857-96-5
    • DB-293888
    • SCHEMBL4649751
    • 3,5-Diamino-4-hydroxybenzene-1-sulfonic acid
    • Inchi: 1S/C6H8N2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,7-8H2,(H,10,11,12)
    • InChI Key: IEUBLHQHYNBJED-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C(=C(C=1)N)O)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 204.02000
  • Monoisotopic Mass: 204.02047791g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 261
  • 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: -1
  • Topological Polar Surface Area: 135?2

Experimental Properties

  • PSA: 135.02000
  • LogP: 2.04650
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