2-(1H-Pyrrol-2-Yl)-1,3-Benzothiazole
[CAS# 54584-09-7]

Identification

• Name: 2-(1H-Pyrrol-2-Yl)-1,3-Benzothiazole
• Synonyms: 2-(1H-pyrrol-2-yl)-1,3-benzothiazole; 2-(1H-pyrrol-2-yl)benzo[d]thiazole
• Molecular Formula: C₁₁H₈N₂S
• Molecular Weight: 200.26
• CAS Registry Number: 54584-09-7
• SMILES: c1cccc2sc(nc12)c3cccn3
• InChI: 1S/C11H8N2S/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9/h1-7,12H
• InChIKey: OCMOSCCTQWDOSF-UHFFFAOYSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 407.106°C at 760 mmHg (Cal.)
• Flash point: 199.94°C (Cal.)

References

• (1): N. Davidovic, D. Matkovic-Calogovic, Z. Popovic and L. Fiser-Jakic. 2-(2-Pyrrolyl)-1,3-benzothiazole, Acta Cryst. (1999). C55, 119-120