1-(2-Benzothiazolyl)-5-Hydroxy-3-Methyl-1H-Pyrazole-4-Acetic Acid
[CAS# 84968-78-5]

Identification

• Name: 1-(2-Benzothiazolyl)-5-Hydroxy-3-Methyl-1H-Pyrazole-4-Acetic Acid
• Synonyms: 2-[1-(1,3-Benzothiazol-2-Yl)-5-Keto-3-Methyl-2H-Pyrazol-4-Yl]Acetic Acid; 2-[1-(1,3-Benzothiazol-2-Yl)-3-Methyl-5-Oxo-2H-Pyrazol-4-Yl]Ethanoic Acid; 1-(2-Benzothiazolyl)-5-Hydroxy-3-Methyl-1H-Pyrazole-4-Acetic Acid
• Molecular Formula: C₁₃H₁₁N₃O₃S
• Molecular Weight: 289.31
• CAS Registry Number: 84968-78-5
• SMILES: C2=C1SC(=NC1=CC=C2)N3NC(=C(C3=O)CC(O)=O)C
• InChI: 1S/C13H11N3O3S/c1-7-8(6-11(17)18)12(19)16(15-7)13-14-9-4-2-3-5-10(9)20-13/h2-5,15H,6H2,1H3,(H,17,18)
• InChIKey: VILKXRSPQPZRQC-UHFFFAOYSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Boiling point: 560.68°C at 760 mmHg (Cal.)
• Flash point: 292.889°C (Cal.)