2-(2-Carbamoylphenyl)Disulfanylbenzamide
[CAS# 2527-57-3]

Identification

• Name: 2-(2-Carbamoylphenyl)Disulfanylbenzamide
• Synonyms: 2-(2-Aminocarbonylphenyl)Disulfanylbenzamide; 2-[(2-Carbamoylphenyl)Disulfanyl]Benzamide; Ci-1012
• Molecular Formula: C₁₄H₁₂N₂O₂S₂
• Molecular Weight: 304.38
• CAS Registry Number: 2527-57-3
• EINECS: 219-766-4
• SMILES: C2=C(SSC1=C(C(=O)N)C=CC=C1)C(=CC=C2)C(=O)N
• InChI: 1S/C14H12N2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
• InChIKey: OEEHSSKRJOGQMP-UHFFFAOYSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 517.169°C at 760 mmHg (Cal.)
• Flash point: 266.575°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