(3E)-4-(1,3-Benzothiazol-2-yl)-3-butenoic acid
[CAS# 91137-33-6]

Identification

• Name: (3E)-4-(1,3-Benzothiazol-2-yl)-3-butenoic acid
• Synonyms: (E)-4-(benzo[d]thiazol-2-yl)but-3-enoic acid
• Molecular Formula: C₁₁H₉NO₂S
• Molecular Weight: 219.26
• CAS Registry Number: 91137-33-6
• SMILES: c1ccc2c(c1)nc(s2)/C=C/CC(=O)O
• InChI: 1S/C11H9NO2S/c13-11(14)7-3-6-10-12-8-4-1-2-5-9(8)15-10/h1-6H,7H2,(H,13,14)/b6-3+
• InChIKey: SOAUNISEQZUJIM-ZZXKWVIFSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 458.219°C at 760 mmHg (Cal.)
• Flash point: 230.923°C (Cal.)