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17a-Methyl-4-[ (phenylthio) methyl]testosterone

CAT: 1459-CS-T-58456Size: 1 EachDry Ice: NoHazardous: No
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Description
17a-Methyl-4-[ (phenylthio) methyl]testosterone is listed under Intermediate and is intended for research and analytical applications. It is associated with Testosterone. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
71507-77-2
Synonyms
17a-Methyl-4-[ (phenylthio) methyl]testosterone
Additionnal Information
17a-Methyl-4-[ (phenylthio) methyl]testosterone is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

17beta-Hydroxy-17-methyl-4-((phenylthio)methyl)androst-4-ene-3-one
CAS Number71507-77-2
PubChem CID44146768
IUPAC Name(8R,9S,10R,13S,14S)-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
Molecular FormulaC27H36O2S
Molecular Weight424.6
XLogP5.4
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity737
SMILES
C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(C)O)C)CSC5=CC=CC=C5
InChI
InChI=1S/C27H36O2S/c1-25-14-13-24(28)20(17-30-18-7-5-4-6-8-18)21(25)10-9-19-22(25)11-15-26(2)23(19)12-16-27(26,3)29/h4-8,19,22-23,29H,9-17H2,1-3H3/t19-,22+,23+,25+,26+,27?/m1/s1
InChIKey
ZTHICPNHMULZDY-DPHHJUNKSA-N
Chemical Structure
2D Structure
2D structure of 17beta-Hydroxy-17-methyl-4-((phenylthio)methyl)androst-4-ene-3-one
CAS: 71507-77-2
CID: 44146768
Formula: C27H36O2S
MW: 424.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.6
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass424.24360156
Monoisotopic Mass424.24360156
Topological Polar Surface Area62.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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