Cas no 55956-00-8 (3-Ethyl-3-hexanethiol)

3-Ethyl-3-hexanethiol structure
3-Ethyl-3-hexanethiol structure
Product Name:3-Ethyl-3-hexanethiol
CAS No:55956-00-8
MF:C8H18S
MW:146.293521404266
CID:2672275
PubChem ID:545347
Update Time:2025-04-21

3-Ethyl-3-hexanethiol Chemical and Physical Properties

Names and Identifiers

    • 3-Ethyl-3-hexanethiol
    • 3-ethylhexane-3-thiol
    • SCHEMBL3312777
    • 3-Hexanethiol, 3-ethyl-
    • 1,1-Diethylbutyl hydrosulfide #
    • 3-Ethyl-3-hexanthiol
    • FHMHOOFOOBLQLZ-UHFFFAOYSA-N
    • 55956-00-8
    • DTXSID30337891
    • Inchi: 1S/C8H18S/c1-4-7-8(9,5-2)6-3/h9H,4-7H2,1-3H3
    • InChI Key: FHMHOOFOOBLQLZ-UHFFFAOYSA-N
    • SMILES: SC(CC)(CC)CCC

Computed Properties

  • Exact Mass: 146.11292175g/mol
  • Monoisotopic Mass: 146.11292175g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 65
  • 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: 3.4
  • Topological Polar Surface Area: 1?2
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