N-(2-Hydroxypropyl)-2-[2-(2-Hydroxypropylcarbamoyl)Phenyl]Disulfanylbenzamide
[CAS# 73845-37-1]

Identification

• Name: N-(2-Hydroxypropyl)-2-[2-(2-Hydroxypropylcarbamoyl)Phenyl]Disulfanylbenzamide
• Synonyms: N-(2-Hydroxypropyl)-2-[2-(2-Hydroxypropylcarbamoyl)Phenyl]Disulfanyl-Benzamide; N-(2-Hydroxypropyl)-2-[2-[(2-Hydroxypropylamino)-Oxomethyl]Phenyl]Disulfanylbenzamide; 2,2'-Dithiobis[N-(2-Hydroxypropyl)Benzamide]
• Molecular Formula: C₂₀H₂₄N₂O₄S₂
• Molecular Weight: 420.54
• CAS Registry Number: 73845-37-1
• SMILES: C1=CC=CC(=C1C(=O)NCC(O)C)SSC2=C(C(=O)NCC(O)C)C=CC=C2
• InChI: 1S/C20H24N2O4S2/c1-13(23)11-21-19(25)15-7-3-5-9-17(15)27-28-18-10-6-4-8-16(18)20(26)22-12-14(2)24/h3-10,13-14,23-24H,11-12H2,1-2H3,(H,21,25)(H,22,26)
• InChIKey: ODUBEYQKYAQFNS-UHFFFAOYSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 667.496°C at 760 mmHg (Cal.)
• Flash point: 357.489°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