Cas no 200625-32-7 (2-THIOPHENESULFONIC ACID, SODIUM SALT MONOHYDRATE)

2-THIOPHENESULFONIC ACID, SODIUM SALT MONOHYDRATE structure
200625-32-7 structure
Product Name:2-THIOPHENESULFONIC ACID, SODIUM SALT MONOHYDRATE
CAS No:200625-32-7
MF:C4H5NaO4S2
MW:204.19986987114
CID:6868983
PubChem ID:45048940
Update Time:2025-04-29

2-THIOPHENESULFONIC ACID, SODIUM SALT MONOHYDRATE Chemical and Physical Properties

Names and Identifiers

    • AKOS024332946
    • 200625-32-7
    • Sodium thiophene-2-sulfonate hydrate
    • 2-THIOPHENESULFONIC ACID, SODIUM SALT MONOHYDRATE
    • Inchi: 1S/C4H4O3S2.Na.H2O/c5-9(6,7)4-2-1-3-8-4;;/h1-3H,(H,5,6,7);;1H2/q;+1;/p-1
    • InChI Key: HEEPBJDTPCEOBR-UHFFFAOYSA-M
    • SMILES: S(C1=CC=CS1)(=O)(=O)[O-].[Na+].O

Computed Properties

  • Exact Mass: 203.95269527Da
  • Monoisotopic Mass: 203.95269527Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 183
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 94.8?2
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