N-Phenyl-2-[2-(Phenylcarbamoyl)Phenyl]Disulfanylbenzamide
[CAS# 2527-63-1]

Identification

• Name: N-Phenyl-2-[2-(Phenylcarbamoyl)Phenyl]Disulfanylbenzamide
• Synonyms: N-Phenyl-2-[2-(Phenylcarbamoyl)Phenyl]Disulfanyl-Benzamide; 2-[2-[Oxo-(Phenylamino)Methyl]Phenyl]Disulfanyl-N-Phenylbenzamide; 2,2'-Dithiobenzanilide
• Molecular Formula: C₂₆H₂₀N₂O₂S₂
• Molecular Weight: 456.58
• CAS Registry Number: 2527-63-1
• SMILES: C1=CC=CC(=C1C(=O)NC2=CC=CC=C2)SSC4=C(C(=O)NC3=CC=CC=C3)C=CC=C4
• InChI: 1S/C26H20N2O2S2/c29-25(27-19-11-3-1-4-12-19)21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)26(30)28-20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)
• InChIKey: BYTIQZZTIKOEDQ-UHFFFAOYSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 511.447°C at 760 mmHg (Cal.)
• Flash point: 263.114°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