Basic information
- CAS
4147-07-3- Standard SMILES
CSC1=CCC2C3CCc4cc(O)ccc4C3CCC12C- InChIKey
GANBGVCVELYEBS-UHFFFAOYSA-N- Molecular formula
- C19H24OS
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.15478656
Names & identifiers
- Preferred name
- 17-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetrene
- IUPAC
- 13-methyl-17-methylsulfanyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
Names & synonyms
4147-07-317-beta-Thiomethyl-delta(sup 1,3,5)-16-estratetreneDTXSID5096173317-(Methylsulfanyl)estra-1(10),2,4,16-tetraen-3-ol
Database identifiers
- CAS
4147-07-3- PubChem CID
- 20102
- DTXSID
DTXSID50961733
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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