1-(1,3-Benzothiazol-2-Yl)-4-Hydroxy-1-Butanone
[CAS# 120821-99-0]

Identification

• Name: 1-(1,3-Benzothiazol-2-Yl)-4-Hydroxy-1-Butanone
• Synonyms: 1-(benzo[d]thiazol-2-yl)-4-hydroxybutan-1-one; NSC606999
• Molecular Formula: C₁₁H₁₁NO₂S
• Molecular Weight: 221.28
• CAS Registry Number: 120821-99-0
• SMILES: O=C(c1nc2ccccc2s1)CCCO
• InChI: 1S/C11H11NO2S/c13-7-3-5-9(14)11-12-8-4-1-2-6-10(8)15-11/h1-2,4,6,13H,3,5,7H2
• InChIKey: JBHZHHKYAASTCE-UHFFFAOYSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 403.667°C at 760 mmHg (Cal.)
• Flash point: 197.931°C (Cal.)
• Refractive index: 1.65 (Cal.)