5-Pyridin-3-Yl-[1,3,4]Oxathiazol-2-One
[CAS# 257286-36-5]

Identification

• Name: 5-Pyridin-3-Yl-[1,3,4]Oxathiazol-2-One
• Synonyms: 5-(3-Pyridyl)-1,3,4-Oxathiazol-2-One; 1,3,4-Oxathiazol-2-One, 5-(3-Pyridinyl)-; Aids-004221
• Molecular Formula: C₇H₄N₂O₂S
• Molecular Weight: 180.18
• CAS Registry Number: 257286-36-5
• SMILES: C2=C(C1=NSC(O1)=O)C=CC=N2
• InChI: 1S/C7H4N2O2S/c10-7-11-6(9-12-7)5-2-1-3-8-4-5/h1-4H
• InChIKey: UBPOITHMKKOZFC-UHFFFAOYSA-N

Properties

• Density: 1.555g/cm³ (Cal.)
• Boiling point: 302.074°C at 760 mmHg (Cal.)
• Flash point: 136.49°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