Cas no 36915-02-3 (Octanoic acid, 6,8-dimercapto-, sodium salt (1:1))

Octanoic acid, 6,8-dimercapto-, sodium salt (1:1) structure
36915-02-3 structure
Product Name:Octanoic acid, 6,8-dimercapto-, sodium salt (1:1)
CAS No:36915-02-3
MF:C8H15NaO2S2
MW:230.323271036148
CID:323488
PubChem ID:23665009
Update Time:2025-04-19

Octanoic acid, 6,8-dimercapto-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Octanoic acid, 6,8-dimercapto-, sodium salt (1:1)
    • sodium,6,8-bis(sulfanyl)octanoate
    • SCHEMBL718014
    • sodium dihydrolipoate
    • 36915-02-3
    • DTXSID20958115
    • Sodium 6,8-bis(sulfanyl)octanoate
    • Inchi: 1S/C8H16O2S2.Na/c9-8(10)4-2-1-3-7(12)5-6-11;/h7,11-12H,1-6H2,(H,9,10);/q;+1/p-1
    • InChI Key: NKWZDUQCHVQLPU-UHFFFAOYSA-M
    • SMILES: SC(CCS)CCCCC(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 230.04125
  • Monoisotopic Mass: 230.041116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 133
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.1

Experimental Properties

  • Boiling Point: 360.8°C at 760 mmHg
  • Flash Point: 172°C
  • PSA: 40.13
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