Cas no 66271-82-7 (Dodecane, 1-(propylthio)-)

Dodecane, 1-(propylthio)- structure
Dodecane, 1-(propylthio)- structure
Product Name:Dodecane, 1-(propylthio)-
CAS No:66271-82-7
MF:C15H32S
MW:244.479583740234
CID:396583
PubChem ID:3660104
Update Time:2025-04-19

Dodecane, 1-(propylthio)- Chemical and Physical Properties

Names and Identifiers

    • Dodecane, 1-(propylthio)-
    • 1-propylsulfanyldodecane
    • DTXSID50394764
    • 66271-82-7
    • SCHEMBL10771398
    • AKOS024338925
    • Inchi: 1S/C15H32S/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h3-15H2,1-2H3
    • InChI Key: JSIGETQGUMEVQW-UHFFFAOYSA-N
    • SMILES: S(CCC)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 244.22266
  • Monoisotopic Mass: 244.22247219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 13
  • Complexity: 112
  • 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: 7.4
  • Topological Polar Surface Area: 25.3?2

Experimental Properties

  • PSA: 0
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