19-Mercaptoandrost-4-ene-3,17-dione
[CAS# 90212-02-5]

Identification

• Name: 19-Mercaptoandrost-4-ene-3,17-dione
• Synonyms: (8S,9S,10S,13S,14S)-10-(Mercaptomethyl)-13-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Dione; (8S,9S,10S,13S,14S)-10-(Mercaptomethyl)-13-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 19-
• Molecular Formula: C₁₉H₂₆O₂S
• Molecular Weight: 318.47
• CAS Registry Number: 90212-02-5
• SMILES: [C@@H]23CCC1=CC(CC[C@@]1([C@H]2CC[C@]4([C@H]3CCC4=O)C)CS)=O
• InChI: 1S/C19H26O2S/c1-18-8-7-16-14(15(18)4-5-17(18)21)3-2-12-10-13(20)6-9-19(12,16)11-22/h10,14-16,22H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1
• InChIKey: KNNWZTLIWIMQIQ-BGJMDTOESA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 486.396°C at 760 mmHg (Cal.)
• Flash point: 247.963°C (Cal.)