3-Thioxoandrosta-1,4-dien-17-one

Base Information

• Chemical Name: 3-Thioxoandrosta-1,4-dien-17-one
• CAS No.: 57334-04-0
• Molecular Formula: C₁₉H₂₄OS
• Molecular Weight: 300.465
• DSSTox Substance ID: DTXSID601294359
• Nikkaji Number: J497.720C

Synonyms:DTXSID601294359;3-Thioxoandrosta-1,4-dien-17-one;Androsta-1,4-dien-17-one, 3-thioxo-;57334-04-0

Chemical Property of 3-Thioxoandrosta-1,4-dien-17-one

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 300.15478656
• Heavy Atom Count: 21
• Complexity: 586

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=S)C=CC34C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=S)C=C[C@]34C

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