Cas no 22082-42-4 (1-Methoxy-1-(methylsulfanyl)propadiene)

1-Methoxy-1-(methylsulfanyl)propadiene structure
22082-42-4 structure
Product Name:1-Methoxy-1-(methylsulfanyl)propadiene
CAS No:22082-42-4
MF:C5H8OS
MW:116.181420326233
CID:2836299
PubChem ID:15142253
Update Time:2025-04-21

1-Methoxy-1-(methylsulfanyl)propadiene Chemical and Physical Properties

Names and Identifiers

    • DTXCID40519747
    • DTXSID20568975
    • 22082-42-4
    • 1-Methoxy-1-(methylsulfanyl)propadiene
    • Inchi: 1S/C5H8OS/c1-4-5(6-2)7-3/h1H2,2-3H3
    • InChI Key: BCLXZEXBWGTMSR-UHFFFAOYSA-N
    • SMILES: S(C)C(=C=C)OC

Computed Properties

  • Exact Mass: 116.02958605g/mol
  • Monoisotopic Mass: 116.02958605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 92.3
  • 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: 1.1
  • Topological Polar Surface Area: 34.5?2
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