Basic information
- CAS
2905-99-9- Standard SMILES
C[C@]12CC[C@H](S)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
CMEUHNLSLLIOEE-USOAJAOKSA-N- Molecular formula
- C19H28OS
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.18608669
Names & identifiers
- Preferred name
- 3-Sulfanylandrost-5-en-17-one
- IUPAC
- (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-sulfanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
2905-99-93-sulfanylandrost-5-en-17-oneNSC41340SCHEMBL8964458DTXSID60951645CMEUHNLSLLIOEE-USOAJAOKSA-N3beta-Sulfanylandrost-5-en-17-oneNSC-413403beta-mercapto-androst-5-en-17-one
Database identifiers
- CAS
2905-99-9- PubChem CID
- 237644
- DTXSID
DTXSID60951645
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 510
Related reactions
1 records
Compound notes
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