19-(Ethyldithio)Androst-4-Ene-3,17-Dione
[CAS# 99957-90-1]

Identification

• Name: 19-(Ethyldithio)Androst-4-Ene-3,17-Dione
• Synonyms: (8S,9S,10S,13S,14S)-10-(Ethyldisulfanylmethyl)-13-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-3,17-Quinone; 19-(Ethyldithio)Androst-4-Ene-3,17-Dione; Androst-4-Ene-3,17-Dione, 19-(Ethyldithio)-
• Molecular Formula: C₂₁H₃₀O₂S₂
• Molecular Weight: 378.59
• CAS Registry Number: 99957-90-1
• SMILES: [C@H]13[C@@H](CCC2=CC(CC[C@]12CSSCC)=O)[C@H]4[C@](CC3)(C(CC4)=O)C
• InChI: 1S/C21H30O2S2/c1-3-24-25-13-21-11-8-15(22)12-14(21)4-5-16-17-6-7-19(23)20(17,2)10-9-18(16)21/h12,16-18H,3-11,13H2,1-2H3/t16-,17-,18-,20-,21+/m0/s1
• InChIKey: RCEOCOMZMSAAFR-OAGDOXAWSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 532.125°C at 760 mmHg (Cal.)
• Flash point: 220.899°C (Cal.)