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1249-81-6

1249-81-6 structural image
Product Name: THIOCHOLESTEROL
Formula: C27H46S
Synonyms: 5-Cholestene-3β-thiol;Cholesteryl mercaptan
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COMPUTED DESCRIPTORS

Molecular Weight 402.7 g/mol
XLogP3 9.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 5
Exact Mass 402.33202264 g/mol
Monoisotopic Mass 402.33202264 g/mol
Topological Polar Surface Area 1 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 591
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes