Thiocholesterol

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol

CAS: 1249-81-6

Molecular Formula	`C27H46S`
Molecular Weight	402.7 g/mol
LogP	9.5
Topological Polar Surface Area	1.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	5
Exact Mass	402.33203
Heavy Atoms	28
Complexity	591.0

Chemical Identifiers

CAS Number	1249-81-6
SMILES	`CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)S)C)C`
InChIKey	`QGVQZRDQPDLHHV-DPAQBDIFSA-N`

📖 Product Overview

Thiocholesterol (CAS: 1249-81-6) is a chemical compound with molecular formula C27H46S and molecular weight 402.7 g/mol. Its IUPAC systematic name is (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-thiol. LogP 9.5 Topological Polar Surface Area 1.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 1 Rotatable Bonds 5 Exact Mass 402.33203 Heavy Atoms 28 Complexity 591.0 InChI Key: QGVQZRDQPDLHHV-DPAQBDIFSA-N. SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)S)C)C.

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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.

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