5-Hydroxy-1-(6-Methoxy-2-Benzothiazolyl)-3- Methyl-1H-Pyrazole-4-Acetic Acid
[CAS# 84968-80-9]

Identification

• Name: 5-Hydroxy-1-(6-Methoxy-2-Benzothiazolyl)-3- Methyl-1H-Pyrazole-4-Acetic Acid
• Synonyms: 2-[5-Keto-1-(6-Methoxy-1,3-Benzothiazol-2-Yl)-3-Methyl-2H-Pyrazol-4-Yl]Acetic Acid; 2-[1-(6-Methoxy-1,3-Benzothiazol-2-Yl)-3-Methyl-5-Oxo-2H-Pyrazol-4-Yl]Ethanoic Acid; 1H-Pyrazole-4-Acetic Acid, 5-Hydroxy-1-(6-Methoxy-2-Benzothiazolyl)-3-Methyl-
• Molecular Formula: C₁₄H₁₃N₃O₄S
• Molecular Weight: 319.33
• CAS Registry Number: 84968-80-9
• SMILES: C1=C(OC)C=CC2=C1SC(=N2)N3NC(=C(C3=O)CC(O)=O)C
• InChI: 1S/C14H13N3O4S/c1-7-9(6-12(18)19)13(20)17(16-7)14-15-10-4-3-8(21-2)5-11(10)22-14/h3-5,16H,6H2,1-2H3,(H,18,19)
• InChIKey: XRQGAEAENMRDLW-UHFFFAOYSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 586.558°C at 760 mmHg (Cal.)
• Flash point: 308.54°C (Cal.)