Cas no 823235-27-4 (Propanoic acid, 3-[[2-(propylthio)ethyl]thio]-)

Propanoic acid, 3-[[2-(propylthio)ethyl]thio]- structure
823235-27-4 structure
Product Name:Propanoic acid, 3-[[2-(propylthio)ethyl]thio]-
CAS No:823235-27-4
MF:C8H16O2S2
MW:208.341440200806
CID:693928
PubChem ID:71419090
Update Time:2025-04-19

Propanoic acid, 3-[[2-(propylthio)ethyl]thio]- Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 3-[[2-(propylthio)ethyl]thio]-
    • 3-(2-propylsulfanylethylsulfanyl)propanoic acid
    • 3-{[2-(PROPYLSULFANYL)ETHYL]SULFANYL}PROPANOIC ACID
    • 823235-27-4
    • 3-((2-(Propylthio)ethyl)thio)propanoic acid
    • DTXSID70838357
    • Inchi: 1S/C8H16O2S2/c1-2-4-11-6-7-12-5-3-8(9)10/h2-7H2,1H3,(H,9,10)
    • InChI Key: ISGGQDUQNNOMLL-UHFFFAOYSA-N
    • SMILES: S(CCC)CCSCCC(=O)O

Computed Properties

  • Exact Mass: 208.05917210g/mol
  • Monoisotopic Mass: 208.05917210g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 8
  • Complexity: 118
  • 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: 1.9
  • Topological Polar Surface Area: 87.9?2
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