Cas no 58024-22-9 (Aceticacid, 2-(nitrosothio)-)

Aceticacid, 2-(nitrosothio)- structure
Aceticacid, 2-(nitrosothio)- structure
Product Name:Aceticacid, 2-(nitrosothio)-
CAS No:58024-22-9
MF:C2H3NO3S
MW:121.115119218826
CID:386331
PubChem ID:187921
Update Time:2025-04-19

Aceticacid, 2-(nitrosothio)- Chemical and Physical Properties

Names and Identifiers

    • Aceticacid, 2-(nitrosothio)-
    • 2-Nitrososulfanylacetic acid
    • DTXSID00206747
    • 58024-22-9
    • AKOS006379765
    • SCHEMBL12813437
    • S-nitrosomercaptoacetic acid
    • Inchi: 1S/C2H3NO3S/c4-2(5)1-7-3-6/h1H2,(H,4,5)
    • InChI Key: GWLFFJKFPZWJKP-UHFFFAOYSA-N
    • SMILES: S(CC(=O)O)N=O

Computed Properties

  • Exact Mass: 120.98339
  • Monoisotopic Mass: 120.983
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 83
  • 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: -0.2
  • Topological Polar Surface Area: 92?2

Experimental Properties

  • Density: 1.6
  • Boiling Point: 276.3°Cat760mmHg
  • Flash Point: 120.9°C
  • Refractive Index: 1.583
  • PSA: 66.73
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