5-Methyl-2-(2-pyridinyl)-2,3-dihydro-1,3-benzothiazole
[CAS# 802894-23-1]

Identification

• Name: 5-Methyl-2-(2-pyridinyl)-2,3-dihydro-1,3-benzothiazole
• Synonyms: 5-methyl-2-(pyridin-2-yl)-2,3-dihydrobenzo[d]thiazole; AIDS191368
• Molecular Formula: C₁₃H₁₂N₂S
• Molecular Weight: 228.31
• CAS Registry Number: 802894-23-1
• SMILES: n1ccccc1C3Sc2ccc(cc2N3)C
• InChI: 1S/C13H12N2S/c1-9-5-6-12-11(8-9)15-13(16-12)10-4-2-3-7-14-10/h2-8,13,15H,1H3
• InChIKey: CGDRVEIRHJRPEQ-UHFFFAOYSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 407.549°C at 760 mmHg (Cal.)
• Flash point: 200.278°C (Cal.)
• Refractive index: 1.645 (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