3-Acetyl-1,3-Benzothiazol-2(3H)-One
[CAS# 51360-57-7]

Identification

• Name: 3-Acetyl-1,3-Benzothiazol-2(3H)-One
• Synonyms: 3-acetyl-2,3-dihydro-1,3-benzothiazol-2-one; 3-acetyl-2-oxo-3-hydrobenzothiazole; TimTec1_006354
• Molecular Formula: C₉H₇NO₂S
• Molecular Weight: 193.22
• CAS Registry Number: 51360-57-7
• SMILES: CC(=O)N1C2=CC=CC=C2SC1=O
• InChI: 1S/C9H7NO2S/c1-6(11)10-7-4-2-3-5-8(7)13-9(10)12/h2-5H,1H3
• InChIKey: PRMLFIZLUYYHCS-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 345.3±25.0°C at 760 mmHg (Cal.)
• Flash point: 162.6±23.2°C (Cal.)