alpha-Methyl-2-Phenyl-5-Benzothiazoleacetic Acid
[CAS# 52321-65-0]

Identification

• Name: alpha-Methyl-2-Phenyl-5-Benzothiazoleacetic Acid
• Synonyms: 2-(2-Phenyl-1,3-Benzothiazol-5-Yl)Propionic Acid; 5-Benzothiazoleacetic Acid, .Alpha.-Methyl-2-Phenyl-; Nsc302076
• Molecular Formula: C₁₆H₁₃NO₂S
• Molecular Weight: 283.34
• CAS Registry Number: 52321-65-0
• SMILES: C1=C(C=CC2=C1N=C(S2)C3=CC=CC=C3)C(C(O)=O)C
• InChI: 1S/C16H13NO2S/c1-10(16(18)19)12-7-8-14-13(9-12)17-15(20-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)
• InChIKey: XCGOOGLJHMKVRE-UHFFFAOYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 478.973°C at 760 mmHg (Cal.)
• Flash point: 243.474°C (Cal.)