19-Mercaptoandrost-4-ene-3,17-dione

Base Information

• Chemical Name: 19-Mercaptoandrost-4-ene-3,17-dione
• CAS No.: 90212-02-5
• Molecular Formula: C19H26 O2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID501009254
• Nikkaji Number: J401.196A
• Wikidata: Q83006008
• Pharos Ligand ID: PJ14BFJUPD71
• ChEMBL ID: CHEMBL3754311
• Mol file: 90212-02-5.mol

Synonyms:19-MAED;19-mercaptoandrost-4-ene-3,17-dione

Chemical Property of 19-Mercaptoandrost-4-ene-3,17-dione

Chemical Property:

• Vapor Pressure: 1.3E-09mmHg at 25°C
• Boiling Point: 486.4°Cat760mmHg
• Flash Point: 248°C
• PSA: 72.94000
• Density: 1.17g/cm³
• LogP: 3.99730
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 318.16535124
• Heavy Atom Count: 22
• Complexity: 566

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CS
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CS

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