Cas no 20025-91-6 ((4-dodecylphenyl)methanethiol)

(4-dodecylphenyl)methanethiol structure
(4-dodecylphenyl)methanethiol structure
Product Name:(4-dodecylphenyl)methanethiol
CAS No:20025-91-6
MF:C19H32S
MW:292.522384643555
CID:908875
PubChem ID:296297
Update Time:2025-04-19

(4-dodecylphenyl)methanethiol Chemical and Physical Properties

Names and Identifiers

    • (4-dodecylphenyl)methanethiol
    • AC1L6PX5
    • NSC166309
    • NSC-166309
    • DTXSID80304573
    • 20025-91-6
    • SCHEMBL9642346
    • Inchi: 1S/C19H32S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(17-20)16-14-18/h13-16,20H,2-12,17H2,1H3
    • InChI Key: MGHOMBZRLVDFEY-UHFFFAOYSA-N
    • SMILES: SCC1C=CC(=CC=1)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 292.22266
  • Monoisotopic Mass: 292.222
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 12
  • Complexity: 194
  • 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: 8.2
  • Topological Polar Surface Area: 1?2

Experimental Properties

  • Density: 0.92
  • Boiling Point: 397.9°C at 760 mmHg
  • Flash Point: 164°C
  • Refractive Index: 1.509
  • PSA: 0
  • LogP: 6.57980
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