Thiocholesterol
[CAS# 1249-81-6]

Identification

• Name: Thiocholesterol
• 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; Nsc 137837; Thiocholesterol
• Molecular Formula: C₂₇H₄₆S
• Molecular Weight: 402.72
• CAS Registry Number: 1249-81-6
• EINECS: 215-003-4
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](S)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• 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: QGVQZRDQPDLHHV-DPAQBDIFSA-N

Properties

• Density: 0.987g/cm³ (Cal.)
• Boiling point: 482.38°C at 760 mmHg (Cal.)
• Flash point: 224.006°C (Cal.)

References

• (1): Irakli Javakhishvili, Wolfgang H. Binder, Susanne Tanner and Søren Hvilsted. Facile synthesis of linear-dendritic cholesteryl-poly(ε-caprolactone)-b-(l-lysine) by thiol-ene and azide-alkyne “click” reactions, Polym. Chem., 2010, 1, 506.