Thiocholesterol

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Formula C27H46S
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3-thiol
Molecular Mass 402.719 g·mol−1
Heat of Formation -322.4 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 560.28 Å 3
Surface Area 437.34 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3-thiol
  • 5-cholestene-3beta-thiol
  • cholest-5-ene-3-thiol, (3beta)-
  • cholest-5-ene-3beta-thiol
  • cholesteryl mercaptan
CAS Number(s)
  • 1249-81-6
  • 364368-00-3
InChIKey QGVQZRDQPDLHHV-DPAQBDIFSA-N
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