N-(3-Nitrophenyl)-2-[2-[(3-Nitrophenyl)Carbamoyl]Phenyl]Disulfanyl-Benzamide
[CAS# 19602-86-9]

Identification

• Name: N-(3-Nitrophenyl)-2-[2-[(3-Nitrophenyl)Carbamoyl]Phenyl]Disulfanyl-Benzamide
• Synonyms: N-(3-Nitrophenyl)-2-[2-[(3-Nitrophenyl)Carbamoyl]Phenyl]Disulfanyl-Benzamide; N-(3-Nitrophenyl)-2-[2-[[(3-Nitrophenyl)Amino]-Oxomethyl]Phenyl]Disulfanylbenzamide; 2,2'-Dithiobis(N-(3-Nitrophenyl)Benzamide)
• Molecular Formula: C₂₆H₁₈N₄O₆S₂
• Molecular Weight: 546.57
• CAS Registry Number: 19602-86-9
• SMILES: C1=C(C(=CC=C1)SSC3=C(C(=O)NC2=CC=CC(=C2)[N+]([O-])=O)C=CC=C3)C(=O)NC4=CC=CC(=C4)[N+]([O-])=O
• InChI: 1S/C26H18N4O6S2/c31-25(27-17-7-5-9-19(15-17)29(33)34)21-11-1-3-13-23(21)37-38-24-14-4-2-12-22(24)26(32)28-18-8-6-10-20(16-18)30(35)36/h1-16H,(H,27,31)(H,28,32)
• InChIKey: SPPXIUOVSUAEGS-UHFFFAOYSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 595.985°C at 760 mmHg (Cal.)
• Flash point: 314.24°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370