Basic information
- CAS
20233-42-5- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C5(CCC[C@]4(C)[C@H]3CC[C@]12C)SCCS5- InChIKey
KPXZTVQCQUXCPY-BMNVVFCNSA-N- Molecular formula
- C29H50S2
- Average molar mass
- 462.8 g/mol
Names & identifiers
- Preferred name
- (5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,2'-1,3-dithiolane]
- IUPAC
- (5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,2'-1,3-dithiolane]
- English name
- 4,4-Ethylenedithio-5α-cholestane
- Molecular formula
- C29H50S2
- Molecular weight
- 462.84
Names & synonyms
4,4-Ethylenedithio-5α-cholestane5α-Cholestan-4-one, cyclic ethylene mercaptole (8CI)
Database identifiers
- CAS
20233-42-5- Nikkaji
- J188.312G
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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