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Thiocholesterol

CAT: 1596-AR-C07325-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C07325-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1249-81-6
Molecular Formula
C27H46S
Molecular Weight
402.73
API Name
Cholesterol

Chemical Information

Thiocholesterol
CAS Number1249-81-6
PubChem CID65075
IUPAC Name(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
Molecular FormulaC27H46S
Molecular Weight402.7
XLogP9.5
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity591
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)S)C)C
InChI
InChI=1S/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
QGVQZRDQPDLHHV-DPAQBDIFSA-N
Chemical Structure
2D Structure
2D structure of Thiocholesterol
CAS: 1249-81-6
CID: 65075
Formula: C27H46S
MW: 402.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.7
XLogP39.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass402.33202264
Monoisotopic Mass402.33202264
Topological Polar Surface Area1 Ų
Heavy Atom Count28
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-T349505-100MGThiocholesterol

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