3,3-Bis(Methylsulfanyl)-1-(3-Nitrophenyl)-2-Propen-1-One
[CAS# 139057-17-3]

Identification

• Name: 3,3-Bis(Methylsulfanyl)-1-(3-Nitrophenyl)-2-Propen-1-One
• Synonyms: 3,3-bis(methylsulfanyl)-1-(3-nitrophenyl)prop-2-en-1-one
• Molecular Formula: C₁₁H₁₁NO₃S₂
• Molecular Weight: 269.34
• CAS Registry Number: 139057-17-3
• SMILES: CSC(=CC(=O)c1cccc(c1)[N+](=O)[O-])SC
• InChI: 1S/C11H11NO3S2/c1-16-11(17-2)7-10(13)8-4-3-5-9(6-8)12(14)15/h3-7H,1-2H3
• InChIKey: LNABYIAUVCHZCT-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 413.759°C at 760 mmHg (Cal.)
• Flash point: 204.034°C (Cal.)
• Refractive index: 1.632 (Cal.)