2-[2-(4-Propan-2-Ylphenyl)-1,3-Benzothiazol-5-Yl]Acetic Acid
[CAS# 36782-45-3]

Identification

• Name: 2-[2-(4-Propan-2-Ylphenyl)-1,3-Benzothiazol-5-Yl]Acetic Acid
• Synonyms: 2-[2-(4-Isopropylphenyl)-1,3-Benzothiazol-5-Yl]Acetic Acid; 2-[2-(4-Propan-2-Ylphenyl)-1,3-Benzothiazol-5-Yl]Ethanoic Acid; 2-(P-Cumenyl)-5-Benzothiazoleacetic Acid
• Molecular Formula: C₁₈H₁₇NO₂S
• Molecular Weight: 311.40
• CAS Registry Number: 36782-45-3
• SMILES: C1=C(C=CC2=C1N=C(S2)C3=CC=C(C=C3)C(C)C)CC(O)=O
• InChI: 1S/C18H17NO2S/c1-11(2)13-4-6-14(7-5-13)18-19-15-9-12(10-17(20)21)3-8-16(15)22-18/h3-9,11H,10H2,1-2H3,(H,20,21)
• InChIKey: RBULJSNVVSSVKH-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 493.363°C at 760 mmHg (Cal.)
• Flash point: 252.177°C (Cal.)