N-(2-Methoxyethyl)-2-[2-(2-Methoxyethylcarbamoyl)Phenyl]Disulfanylbenzamide
[CAS# 33353-20-7]

Identification

• Name: N-(2-Methoxyethyl)-2-[2-(2-Methoxyethylcarbamoyl)Phenyl]Disulfanylbenzamide
• Synonyms: N-(2-Methoxyethyl)-2-[2-(2-Methoxyethylcarbamoyl)Phenyl]Disulfanyl-Benzamide; N-(2-Methoxyethyl)-2-[2-[(2-Methoxyethylamino)-Oxomethyl]Phenyl]Disulfanylbenzamide; Benzamide, 2,2'-Dithiobis[5-Chloro-N-(2-Methoxyethyl)-
• Molecular Formula: C₂₀H₂₄N₂O₄S₂
• Molecular Weight: 420.54
• CAS Registry Number: 33353-20-7
• SMILES: C1=C(C(=O)NCCOC)C(=CC=C1)SSC2=CC=CC=C2C(=O)NCCOC
• InChI: 1S/C20H24N2O4S2/c1-25-13-11-21-19(23)15-7-3-5-9-17(15)27-28-18-10-6-4-8-16(18)20(24)22-12-14-26-2/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)
• InChIKey: VTHMIJUJHXDYHA-UHFFFAOYSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 611.738°C at 760 mmHg (Cal.)
• Flash point: 323.768°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