Cas no 51026-30-3 (2-Dodecanol, 1-[(2-hydroxyethyl)thio]-)

2-Dodecanol, 1-[(2-hydroxyethyl)thio]- structure
51026-30-3 structure
Product Name:2-Dodecanol, 1-[(2-hydroxyethyl)thio]-
CAS No:51026-30-3
MF:C14H30O2S
MW:262.451803684235
CID:363573
PubChem ID:21288606
Update Time:2025-04-19

2-Dodecanol, 1-[(2-hydroxyethyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • 2-Dodecanol, 1-[(2-hydroxyethyl)thio]-
    • 1-(2-hydroxyethylsulfanyl)dodecan-2-ol
    • 1-[(2-HYDROXYETHYL)SULFANYL]DODECAN-2-OL
    • DTXSID90612035
    • SCHEMBL11876919
    • 51026-30-3
    • Inchi: 1S/C14H30O2S/c1-2-3-4-5-6-7-8-9-10-14(16)13-17-12-11-15/h14-16H,2-13H2,1H3
    • InChI Key: FHGMHELGXQMEOP-UHFFFAOYSA-N
    • SMILES: S(CCO)CC(CCCCCCCCCC)O

Computed Properties

  • Exact Mass: 262.1968
  • Monoisotopic Mass: 262.19665137g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 13
  • Complexity: 142
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 65.8?2

Experimental Properties

  • PSA: 40.46
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