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Basic information
- CAS
90212-03-6- Standard SMILES
CSC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
FDHUZZLLTRFCDB-VDWQKOAOSA-N- Molecular formula
- C20H28O2S
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.18100131
Names & identifiers
- Preferred name
- 19-Thiomethylandrost-4-ene-3,17-dione
- IUPAC
- (8S,9S,10S,13S,14S)-13-methyl-10-(methylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
- English name
- 19-thiomethylandrost-4-ene-3,17-dione
- Molecular formula
- C20H28O2S
- Molecular weight
- 332.5
Names & synonyms
19-Tmaed90212-03-619-Thiomethylandrost-4-ene-3,17-dioneRefChem:7955519-methylthioandrost-4-ene-3,17-dione(8S,9S,10S,13S,14S)-13-methyl-10-(methylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneSCHEMBL9513576CHEMBL3753548FDHUZZLLTRFCDB-VDWQKOAOSA-NDTXSID20100925519-methylthio-4-androsten-3,17-dione19-methylthio-4-androstene-3,17-dione
Show more names
Androst-4-ene-3,17-dione, 19-(methylthio)- (9CI)
19-(Methylsulfanyl)androst-4-ene-3,17-dioneAndrost-4-ene-3,17-dione, 19-(methylthio)-
Database identifiers
- CAS
90212-03-6- PubChem CID
- 146142
- DTXSID
DTXSID201009255- ChEMBL
CHEMBL3753548- Nikkaji
- J2.952.668K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 580
Related reactions
3 records
Compound notes
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