17a-Methyl-4-[(phenylthio)methyl]testosterone
Basic information
- CAS
71507-77-2- Standard SMILES
C[C@]12CCC(=O)C(CSc3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
ZTHICPNHMULZDY-AYEIPMSGSA-N- Molecular formula
- C27H36O2S
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.24360156
Names & identifiers
- Preferred name
- 17a-Methyl-4-[(phenylthio)methyl]testosterone
- IUPAC
- (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-4-(phenylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- 17beta-hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-ene-3-one
- Molecular formula
- C27H36O2S
- Molecular weight
- 424.64
Names & synonyms
17a-Methyl-4-[(phenylthio)methyl]testosteroneSCHEMBL11522842FM25693DB-222501NS0006139417alpha-Methyl-4-[(phenylthio)methyl]testosterone(17b)-17-Hydroxy-17-methyl-4-[(phenylthio)methyl]-androst-4-en-3-one(17beta)-17-Hydroxy-17-methyl-4-[(phenylthio)methyl]-androst-4-en-3-one(17ss)-17-Hydroxy-17-methyl-4-[(phenylthio)methyl]-androst-4-en-3-one(17Beta)-17-hydroxy-17-methyl-4-[(phenylsulfanyl)methyl]androst-4-en-3-one(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-4-(phenylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one17α-Methyl-4-[(phenylthio)Methyl]testosterone
Show more names
17α-Methyl-4-[(phenylthio)methyl]testosterone, CAS 71507-77-217beta-hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-ene-3-one(17S)-17-Hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-en-3-one(17β)-17-Hydroxy-17-Methyl-4-[(phenylthio)Methyl]-androst-4-en-3-oneAndrost-4-en-3-one, 17-hydroxy-17-methyl-4-[(phenylthio)methyl]-, (17β)- (9CI)
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 737
Physicochemical properties
- solubility
- Chloroform (Slightly)
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesTestosterone (T155000) derivative.
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Compound notes
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