ChemicalBook--->CAS DataBase List--->1249-81-6

1249-81-6

1249-81-6 Structure

1249-81-6 Structure
IdentificationBack Directory
[Name]

THIOCHOLESTEROL
[CAS]

1249-81-6
[Synonyms]

THIOCHOLESTEROL
5-cholestene-3β-thiol
Cholesteryl mercaptan
Cholest-5-ene-3b-thiol
Cholest-5-ene-3β-thiol
Cholest-5-ene-3.β.-thiol
5-CHOLESTEN-3ALPHA-THIOL
cholest-5-ene-3beta-thiol
Cholest-5-ene-3-thiol, (3β)-
THIOCHOLESTEROL SEALED AMPULE
5-Cholestene-3β-thiol, Cholesteryl mercaptan
(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
[EINECS(EC#)]

215-003-4
[Molecular Formula]

C27H46S
[MDL Number]

MFCD00003647
[MOL File]

1249-81-6.mol
[Molecular Weight]

402.72
Chemical PropertiesBack Directory
[Melting point ]

97-99 °C (lit.)
[Boiling point ]

482.4±24.0 °C(Predicted)
[density ]

0.98±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.71±0.70(Predicted)
[color ]

White to Off-White
[Optical Rotation]

[α]20/D 23°, c = 1 in chloroform
[Stability:]

Air Sensitive
[InChIKey]

QGVQZRDQPDLHHV-DPAQBDIFSA-N
[SMILES]

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@H]3CC[C@]12C
[LogP]

11.330 (est)
[EPA Substance Registry System]

Cholest-5-ene-3-thiol, (3.beta.)- (1249-81-6)
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Thiocholesterol is a compound used in biological cross-linking and membrane studies.
[General Description]

Thiocholesterol is a lipid similar to cholesterol except that the hydroxyl group is replaced with thiol group.
Spectrum DetailBack Directory
[Spectrum Detail]

THIOCHOLESTEROL(1249-81-6)1HNMR
THIOCHOLESTEROL(1249-81-6)IR
THIOCHOLESTEROL(1249-81-6)FT-IR
THIOCHOLESTEROL(1249-81-6)Raman
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