1-(1,3-Benzothiazol-2-yl)-3-pentanone
[CAS# 89171-09-5]

Identification

• Name: 1-(1,3-Benzothiazol-2-yl)-3-pentanone
• Synonyms: 1-(1,3-Benzothiazol-2-yl)-3-pentanon; 1-(1,3-Benzothiazol-2-yl)-3-pentanone; 1-(1,3-Benzothiazol-2-yl)-3-pentanone
• Molecular Formula: C₁₂H₁₃NOS
• Molecular Weight: 219.30
• CAS Registry Number: 89171-09-5
• SMILES: CCC(=O)CCc1nc2ccccc2s1
• InChI: 1S/C12H13NOS/c1-2-9(14)7-8-12-13-10-5-3-4-6-11(10)15-12/h3-6H,2,7-8H2,1H3
• InChIKey: QHKSHTVITNEVJJ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 351.9±25.0°C at 760 mmHg (Cal.)
• Flash point: 166.6±23.2°C (Cal.)