2-(4,5-Dihydro-1H-Imidazol-2-Ylsulfanyl)-1-(4-Nitrophenyl)Ethanone
[CAS# 36065-80-2]

Identification

• Name: 2-(4,5-Dihydro-1H-Imidazol-2-Ylsulfanyl)-1-(4-Nitrophenyl)Ethanone
• Synonyms: 2-(4,5-Dihydro-1H-Imidazol-2-Ylthio)-1-(4-Nitrophenyl)Ethanone; 2-(P-Nitrophenacylthio)-2-Imidazoline; 2-Imidazoline, 2-(P-Nitrophenacylthio)-
• Molecular Formula: C₁₁H₁₁N₃O₃S
• Molecular Weight: 265.29
• CAS Registry Number: 36065-80-2
• SMILES: C1=C(C=CC(=C1)[N+]([O-])=O)C(CSC2=NCCN2)=O
• InChI: 1S/C11H11N3O3S/c15-10(7-18-11-12-5-6-13-11)8-1-3-9(4-2-8)14(16)17/h1-4H,5-7H2,(H,12,13)
• InChIKey: SFYBVYGDWXFMAJ-UHFFFAOYSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 450.179°C at 760 mmHg (Cal.)
• Flash point: 226.06°C (Cal.)