1-(1H-Benzoimidazol-2-Ylsulfanyl)-2-[(4-Nitrophenyl)Amino]Ethanone
[CAS# 83408-85-9]

Identification

• Name: 1-(1H-Benzoimidazol-2-Ylsulfanyl)-2-[(4-Nitrophenyl)Amino]Ethanone
• Synonyms: 2-[(4-Nitrophenyl)Amino]Ethanethioic Acid S-(1H-Benzimidazol-2-Yl) Ester; ((4-Nitrophenyl)Amino)Ethanethioic Acid S-1H-Benzimidazol-2-Yl Ester; Brn 4562627
• Molecular Formula: C₁₅H₁₂N₄O₃S
• Molecular Weight: 328.34
• CAS Registry Number: 83408-85-9
• SMILES: C3=C2N=C(SC(=O)CNC1=CC=C([N+]([O-])=O)C=C1)[NH]C2=CC=C3
• InChI: 1S/C15H12N4O3S/c20-14(9-16-10-5-7-11(8-6-10)19(21)22)23-15-17-12-3-1-2-4-13(12)18-15/h1-8,16H,9H2,(H,17,18)
• InChIKey: NSDXOTRZOSYAAS-UHFFFAOYSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 629.173°C at 760 mmHg (Cal.)
• Flash point: 334.312°C (Cal.)