Cas no 50764-49-3 (2-Octanethiol, (S)-)

2-Octanethiol, (S)- structure
2-Octanethiol, (S)- structure
Product Name:2-Octanethiol, (S)-
CAS No:50764-49-3
MF:C8H18S
MW:146.293521404266
CID:364103
PubChem ID:12397216
Update Time:2025-04-19

2-Octanethiol, (S)- Chemical and Physical Properties

Names and Identifiers

    • 2-Octanethiol, (S)-
    • (2S)-OCTANE-2-THIOL
    • 50764-49-3
    • (s)-octane-2-thiol
    • DTXSID50496277
    • SCHEMBL11118228
    • Inchi： 1S/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
    • InChI Key： BZXFEMZFRLXGCY-QMMMGPOBSA-N
    • SMILES： S[C@@H](C)CCCCCC

Computed Properties

  • Exact Mass: 146.11304
  • 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: 5
  • Complexity: 52.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 1?2

Experimental Properties

  • PSA: 0

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