22-Thiacholesterol
(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-(3-methylbutylsulfanyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 22-Thiacholesterol|(20r)-22-thiacholesterol|20-[(3-Methylbutyl)sulfanyl]pregn-5-en-3-ol|(20R)-20-[(3-Methylbutyl)sulfanyl]pregn-5-en-3beta-ol|(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-(3-methylbutylsulfanyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS: 94156-75-9
| Molecular Formula | C26H44OS |
|---|---|
| Molecular Weight | 404.31128 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.31128 |
| Monoisotopic Mass | 404.31128 |
| Heavy Atoms | 28 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 94156-75-9 |
|---|---|
| SMILES | C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)SCCC(C)C |
| InChIKey | LHCQLAFJKZXZJJ-XSLNCIIRSA-N |
Product Overview
22-Thiacholesterol (CAS 94156-75-9), with molecular formula C26H44OS and molecular weight 404.31128 g/mol. IUPAC: (3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-(3-methylbutylsulfanyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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