3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)-2-propen-1-one
[CAS# 81375-97-5]

Identification

• Name: 3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)-2-propen-1-one
• Synonyms: 3,3-bis(methylsulfanyl)-1-(4-nitrophenyl)propenone; 3,3-Bis-methylsulfanyl-1-(4-nitro-phenyl)-propenon; 3,3-BIS-METHYLSULFANYL-1-(4-NITRO-PHENYL)-PROPENONE
• Molecular Formula: C₁₁H₁₁NO₃S₂
• Molecular Weight: 269.34
• CAS Registry Number: 81375-97-5
• SMILES: CSC(=CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])SC
• InChI: 1S/C11H11NO3S2/c1-16-11(17-2)7-10(13)8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H3
• InChIKey: ZRMKIXVMEJWMDA-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 429.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 213.7±28.7°C (Cal.)