N-Methyl-4,5-Dioxo-N-(4-Phenylsulfanylphenyl)-1-Propan-2-Ylpyrrolidine-3-Carboxamide
[CAS# 77711-85-4]

Identification

• Name: N-Methyl-4,5-Dioxo-N-(4-Phenylsulfanylphenyl)-1-Propan-2-Ylpyrrolidine-3-Carboxamide
• Synonyms: 1-Isopropyl-N-Methyl-4,5-Dioxo-N-(4-Phenylsulfanylphenyl)Pyrrolidine-3-Carboxamide; 1-Isopropyl-N-Methyl-4,5-Dioxo-N-[4-(Phenylthio)Phenyl]-3-Pyrrolidinecarboxamide; 1-Isopropyl-4,5-Diketo-N-Methyl-N-[4-(Phenylthio)Phenyl]Pyrrolidine-3-Carboxamide
• Molecular Formula: C₂₁H₂₂N₂O₃S
• Molecular Weight: 382.48
• CAS Registry Number: 77711-85-4
• SMILES: C1=CC(=CC=C1N(C(C2CN(C(C2=O)=O)C(C)C)=O)C)SC3=CC=CC=C3
• InChI: 1S/C21H22N2O3S/c1-14(2)23-13-18(19(24)21(23)26)20(25)22(3)15-9-11-17(12-10-15)27-16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3
• InChIKey: VVPPQVNHQGUJOH-UHFFFAOYSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 564.041°C at 760 mmHg (Cal.)
• Flash point: 294.921°C (Cal.)