1249-81-6

Name THIOCHOLESTEROL
CAS 1249-81-6
EINECS(EC#) 215-003-4
Molecular Formula C27H46S
MDL Number MFCD00003647
Molecular Weight 402.72
MOL File 1249-81-6.mol
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Chemical Properties

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 Data

WGK Germany  3
TSCA  TSCA listed
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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