2-Phenyl-5-Benzothiazolepropanoic acid
[CAS# 52321-54-7]

Identification

• Name: 2-Phenyl-5-Benzothiazolepropanoic acid
• Synonyms: 3-(2-Phenyl-1,3-Benzothiazol-5-Yl)Propionic Acid; 2-Phenyl-5-Benzothiazolepropionic Acid; 5-Benzothiazolepropionic Acid, 2-Phenyl-
• Molecular Formula: C₁₆H₁₃NO₂S
• Molecular Weight: 283.34
• CAS Registry Number: 52321-54-7
• SMILES: C1=C(C=CC2=C1N=C(S2)C3=CC=CC=C3)CCC(O)=O
• InChI: 1S/C16H13NO2S/c18-15(19)9-7-11-6-8-14-13(10-11)17-16(20-14)12-4-2-1-3-5-12/h1-6,8,10H,7,9H2,(H,18,19)
• InChIKey: NKOLMUVZDOHNNB-UHFFFAOYSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 492.281°C at 760 mmHg (Cal.)
• Flash point: 251.523°C (Cal.)