5-(1,3-Benzothiazol-2-yl)-2-pentanone
[CAS# 88611-57-8]

Identification

• Name: 5-(1,3-Benzothiazol-2-yl)-2-pentanone
• Synonyms: 2-Pentanone,5-(2-benzothiazolyl)-; 5-(benzo[d]thiazol-2-yl)pentan-2-one
• Molecular Formula: C₁₂H₁₃NOS
• Molecular Weight: 219.30
• CAS Registry Number: 88611-57-8
• SMILES: CC(=O)CCCc1nc2ccccc2s1
• InChI: 1S/C12H13NOS/c1-9(14)5-4-8-12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,4-5,8H2,1H3
• InChIKey: MKLRBVCKPWGBMH-UHFFFAOYSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 359.137°C at 760 mmHg (Cal.)
• Flash point: 171°C (Cal.)