Cas no 64358-81-2 (Nonanoic acid,6,8-dimercapto-)

Nonanoic acid,6,8-dimercapto- structure
Nonanoic acid,6,8-dimercapto- structure
Product Name:Nonanoic acid,6,8-dimercapto-
CAS No:64358-81-2
MF:C9H18O2S2
MW:222.368020534515
CID:514382
PubChem ID:191731
Update Time:2025-04-19

Nonanoic acid,6,8-dimercapto- Chemical and Physical Properties

Names and Identifiers

    • Nonanoic acid,6,8-dimercapto-
    • 6,8-bis(sulfanyl)nonanoic acid
    • Inchi: 1S/C9H18O2S2/c1-7(12)6-8(13)4-2-3-5-9(10)11/h7-8,12-13H,2-6H2,1H3,(H,10,11)
    • InChI Key: OWZIOKWAYYCJHJ-UHFFFAOYSA-N
    • SMILES: SC(CC(C)S)CCCCC(=O)O

Computed Properties

  • Exact Mass: 222.07494
  • Monoisotopic Mass: 222.075
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 39.3?2

Experimental Properties

  • Density: 1.108
  • Boiling Point: 366.3°Cat760mmHg
  • Flash Point: 175.3°C
  • Refractive Index: 1.52
  • PSA: 37.3
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