1-(1,3-Benzothiazol-2-yl)-1,3-butanedione
[CAS# 86319-88-2]

Identification

• Name: 1-(1,3-Benzothiazol-2-yl)-1,3-butanedione
• Synonyms: 1-(benzo[d]thiazol-2-yl)butane-1,3-dione
• Molecular Formula: C₁₁H₉NO₂S
• Molecular Weight: 219.26
• CAS Registry Number: 86319-88-2
• SMILES: CC(=O)CC(=O)c1nc2ccccc2s1
• InChI: 1S/C11H9NO2S/c1-7(13)6-9(14)11-12-8-4-2-3-5-10(8)15-11/h2-5H,6H2,1H3
• InChIKey: GLBHDSPTUZOETI-UHFFFAOYSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 368.755°C at 760 mmHg (Cal.)
• Flash point: 176.817°C (Cal.)