Thiocholesterol

CAS Registry Number®

1249-81-6
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CAS Name

Thiocholesterol

Molecular Formula

C27H46S

Molecular Mass

402.72

Cite this Page

Thiocholesterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1249-81-6 (retrieved 2024-05-05) (CAS RN: 1249-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    99.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=QGVQZRDQPDLHHV-DPAQBDIFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](S)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

SC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1

Other Names for this Substance

  • Cholest-5-ene-3-thiol, (3β)-
  • Cholest-5-ene-3β-thiol
  • (3β)-Cholest-5-ene-3-thiol
  • Cholesteryl mercaptan
  • Thiocholesterol

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Deleted or Replaced CAS Registry Numbers

364368-00-3

CAS INSIGHTSTM
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