Cas no 56955-12-5 (Methane, sulfinylbis-, monohydrate)

Methane, sulfinylbis-, monohydrate structure
56955-12-5 structure
Product Name:Methane, sulfinylbis-, monohydrate
CAS No:56955-12-5
MF:C2H8O2S
MW:96.1487197875977
CID:1600353
PubChem ID:23503278
Update Time:2025-04-21

Methane, sulfinylbis-, monohydrate Chemical and Physical Properties

Names and Identifiers

    • Methane, sulfinylbis-, monohydrate
    • methylsulfinylmethane,hydrate
    • 56955-12-5
    • H2O DMSO
    • DTXSID20634563
    • (Methanesulfinyl)methane--water (1/1)
    • PGXWDLGWMQIXDT-UHFFFAOYSA-N
    • dimethylsulfoxide water
    • water-dimethylsulfoxide
    • DMSO water
    • water DMSO
    • dimethyl sulfoxide water
    • DMSO H2O
    • Inchi: 1S/C2H6OS.H2O/c1-4(2)3;/h1-2H3;1H2
    • InChI Key: PGXWDLGWMQIXDT-UHFFFAOYSA-N
    • SMILES: S(C)(C)=O.O

Computed Properties

  • Exact Mass: 96.02454
  • Monoisotopic Mass: 96.02450067g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 0
  • Complexity: 29
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 48.57
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