22-Thiacholesterol
[CAS# 94156-75-9]

Identification

• Name: 22-Thiacholesterol
• Synonyms: (3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-Isopentylsulfanylethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-(Isopentylthio)Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,1
• Molecular Formula: C₂₆H₄₄OS
• Molecular Weight: 404.69
• CAS Registry Number: 94156-75-9
• SMILES: [C@@H]4([C@@H](C)SCCC(C)C)[C@@]3([C@H]([C@@H]2CC=C1C[C@H](CC[C@@]1([C@H]2CC3)C)O)CC4)C
• InChI: 1S/C26H44OS/c1-17(2)12-15-28-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
• InChIKey: LHCQLAFJKZXZJJ-XSLNCIIRSA-N

Properties

• Density: 1.04g/cm³ (Cal.)
• Boiling point: 507.317°C at 760 mmHg (Cal.)
• Flash point: 245.925°C (Cal.)