2-[2-(3,4-Dimethoxyphenyl)-1,3-Benzothiazol-6-Yl]Acetic Acid
[CAS# 36782-53-3]

Identification

• Name: 2-[2-(3,4-Dimethoxyphenyl)-1,3-Benzothiazol-6-Yl]Acetic Acid
• Synonyms: 2-[2-(3,4-Dimethoxyphenyl)-1,3-Benzothiazol-6-Yl]Ethanoic Acid; 2-(3,4-Dimethoxyphenyl)-6-Benzothiazoleacetic Acid; 6-Benzothiazoleacetic Acid, 2-(3,4-Dimethoxyphenyl)-
• Molecular Formula: C₁₇H₁₅NO₄S
• Molecular Weight: 329.37
• CAS Registry Number: 36782-53-3
• SMILES: C2=C1N=C(SC1=CC(=C2)CC(=O)O)C3=CC=C(C(=C3)OC)OC
• InChI: 1S/C17H15NO4S/c1-21-13-6-4-11(9-14(13)22-2)17-18-12-5-3-10(8-16(19)20)7-15(12)23-17/h3-7,9H,8H2,1-2H3,(H,19,20)
• InChIKey: UWXRMZYMTHVJOU-UHFFFAOYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 534.663°C at 760 mmHg (Cal.)
• Flash point: 277.154°C (Cal.)