16alpha-(Methylthio)progesterone
Basic information
- CAS
3136-93-4- Standard SMILES
CS[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O- InChIKey
MTOGCFGVYHTEAT-QQYXXPEKSA-N- Molecular formula
- C22H32O2S
- Average molar mass
- 360.6 g/mol
- Monoisotopic mass
- 360.21230143
Names & identifiers
- Preferred name
- 16alpha-(Methylthio)progesterone
- IUPAC
- (8S,9S,10R,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-16-methylsulfanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 16α-(Methylthio)progesterone
- Molecular formula
- C22H32O2S
- Molecular weight
- 360.55
Names & synonyms
16A-(METHYLTHIO)PROGESTERONE3136-93-4NSC-66588CZ4CDI32KB16.alpha.-(Methylthio)progesterone16alpha-(Methylthio)progesteroneNSC66588UNII-CZ4CDI32KBProgesterone, 16.alpha.-(methylthio)-Pregn-4-ene-3, 16.alpha.-(methylthio)-Pregn-4-ene-3,20-dione, 16alpha-(methylthio)-Pregn-4-ene-3,20-dione, 16.alpha.-(methylthio)-
Show more names
16α-(Methylthio)progesteronePregn-4-ene-3,20-dione, 16α-(methylthio)- (7CI,8CI)
(16alpha)-16-(methylsulfanyl)pregn-4-ene-3,20-dione
Database identifiers
- CAS
3136-93-4- PubChem CID
- 248929
- UNII
- CZ4CDI32KB
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- FDA UNII
- 4 CDI32KB · CZ4CDI32KB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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