Cas no 100989-78-4 (2-Decanethiol, 2-methyl-)

2-Decanethiol, 2-methyl- structure
2-Decanethiol, 2-methyl- structure
Product Name:2-Decanethiol, 2-methyl-
CAS No:100989-78-4
MF:C11H24S
MW:188.373262405396
CID:1130663
PubChem ID:19871688
Update Time:2025-04-20

2-Decanethiol, 2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Decanethiol, 2-methyl-
    • 2-methyldecane-2-thiol
    • GQURPOZJWORWAM-UHFFFAOYSA-N
    • DTXSID10600853
    • 100989-78-4
    • SCHEMBL3624258
    • Inchi: 1S/C11H24S/c1-4-5-6-7-8-9-10-11(2,3)12/h12H,4-10H2,1-3H3
    • InChI Key: GQURPOZJWORWAM-UHFFFAOYSA-N
    • SMILES: SC(C)(C)CCCCCCCC

Computed Properties

  • Exact Mass: 188.16002
  • Monoisotopic Mass: 188.15987194g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 97.2
  • 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: 5.1
  • Topological Polar Surface Area: 1?2

Experimental Properties

  • PSA: 0
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