7-(4'-Bromoacetamido)Phenylthio-4-Androstene-3,17-Dione
[CAS# 96937-87-0]

Identification

• Name: 7-(4'-Bromoacetamido)Phenylthio-4-Androstene-3,17-Dione
• Synonyms: 2-Bromo-N-[4-[[(7R,8R,9S,10R,13S)-10,13-Dimethyl-3,17-Dioxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-7-Yl]Thio]Phenyl]Acetamide; 2-Bromo-N-[4-[[(7R,8R,9S,10R,13S)-3,17-Diketo-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclop
• Molecular Formula: C₂₇H₃₂BrNO₃S
• Molecular Weight: 530.52
• CAS Registry Number: 96937-87-0
• SMILES: [C@H]24[C@@H]([C@@]1(C(=CC(=O)CC1)C[C@H]2SC3=CC=C(NC(=O)CBr)C=C3)C)CC[C@]5(C4CCC5=O)C
• InChI: 1S/C27H32BrNO3S/c1-26-11-9-18(30)13-16(26)14-22(33-19-5-3-17(4-6-19)29-24(32)15-28)25-20-7-8-23(31)27(20,2)12-10-21(25)26/h3-6,13,20-22,25H,7-12,14-15H2,1-2H3,(H,29,32)/t20?,21-,22+,25-,26-,27-/m0/s1
• InChIKey: LCFDGVXDFUKBGU-YHBVRMNNSA-N

Properties

• Density: 1.402g/cm³ (Cal.)
• Boiling point: 698.15°C at 760 mmHg (Cal.)
• Flash point: 376.028°C (Cal.)