3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione

Base Information

• Chemical Name: 3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione
• CAS No.: 6638-25-1
• Molecular Formula: C21H26O4S
• Molecular Weight: 374.4937
• NSC Number: 48010
• DSSTox Substance ID: DTXSID601318595
• Nikkaji Number: J2.791.491H
• Wikidata: Q27148604
• ChEMBL ID: CHEMBL1987211

Synonyms:NSC48010;6638-25-1;CHEBI:79515;3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione;NSC-48010;CHEMBL1987211;DTXSID601318595;NSC 48010;NCI60_004137;3-Acetoxy-9-mercaptoandrosta-3,5-diene-11,17-dione;Q27148604

Chemical Property of 3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione

Chemical Property:

• Vapor Pressure: 2.95E-12mmHg at 25°C
• Boiling Point: 552.6°C at 760 mmHg
• Flash Point: 448.3°C
• Density: 1.25g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 374.15518048
• Heavy Atom Count: 26
• Complexity: 781

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=CCC3C4CCC(=O)C4(CC(=O)C3(C2(CC1)C)S)C
• Isomeric SMILES: CC(=O)OC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC(=O)[C@@]3([C@]2(CC1)C)S)C

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