(3E)-4-(1,3-Benzothiazol-2-yl)-3-buten-2-one
[CAS# 95353-49-4]

Identification

• Name: (3E)-4-(1,3-Benzothiazol-2-yl)-3-buten-2-one
• Synonyms: (E)-4-(benzo[d]thiazol-2-yl)but-3-en-2-one
• Molecular Formula: C₁₁H₉NOS
• Molecular Weight: 203.26
• CAS Registry Number: 95353-49-4
• SMILES: CC(=O)/C=C/C1=NC2=CC=CC=C2S1
• InChI: 1S/C11H9NOS/c1-8(13)6-7-11-12-9-4-2-3-5-10(9)14-11/h2-7H,1H3/b7-6+
• InChIKey: ITTUDUPJFJLMHD-VOTSOKGWSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 364.6±44.0°C at 760 mmHg (Cal.)
• Flash point: 174.3±28.4°C (Cal.)