2-[(2Z)-2-(5-Methyl-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-3H-1,3-Benzothiazol-6-Yl]Acetic Acid
[CAS# 36782-41-9]

Identification

• Name: 2-[(2Z)-2-(5-Methyl-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-3H-1,3-Benzothiazol-6-Yl]Acetic Acid
• Synonyms: 2-[(2Z)-2-(6-Keto-5-Methyl-1-Cyclohexa-2,4-Dienylidene)-3H-1,3-Benzothiazol-6-Yl]Acetic Acid; 2-[(2Z)-2-(5-Methyl-6-Oxo-1-Cyclohexa-2,4-Dienylidene)-3H-1,3-Benzothiazol-6-Yl]Ethanoic Acid; 2-(2-Hydroxy-M-Tolyl)-6-Benzothiazoleacetic Acid
• Molecular Formula: C₁₆H₁₃NO₃S
• Molecular Weight: 299.34
• CAS Registry Number: 36782-41-9
• SMILES: C1=C(C=CC2=C1SC(/N2)=C3\C(=O)C(=CC=C3)C)CC(O)=O
• InChI: 1S/C16H13NO3S/c1-9-3-2-4-11(15(9)20)16-17-12-6-5-10(8-14(18)19)7-13(12)21-16/h2-7,17H,8H2,1H3,(H,18,19)/b16-11-
• InChIKey: KUINUAAHDPVJRS-WJDWOHSUSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 515.357°C at 760 mmHg (Cal.)
• Flash point: 265.479°C (Cal.)