(3,5-Dimethyl-1-Phenyl-1H-Pyrazol-4-Yl)Thio]Acetic Acid
[CAS# 93350-66-4]

Identification

• Name: (3,5-Dimethyl-1-Phenyl-1H-Pyrazol-4-Yl)Thio]Acetic Acid
• Synonyms: 2-(3,5-Dimethyl-1-Phenyl-Pyrazol-4-Yl)Sulfanylacetate; 2-[(3,5-Dimethyl-1-Phenyl-4-Pyrazolyl)Thio]Acetate; 2-[(3,5-Dimethyl-1-Phenyl-Pyrazol-4-Yl)Thio]Acetate
• Molecular Formula: C₁₃H₁₃N₂O₂S
• Molecular Weight: 261.32
• CAS Registry Number: 93350-66-4
• SMILES: C2=C([N]1N=C(C(=C1C)SCC([O-])=O)C)C=CC=C2
• InChI: 1S/C13H14N2O2S/c1-9-13(18-8-12(16)17)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)/p-1
• InChIKey: QMLGPMCDBBGIFP-UHFFFAOYSA-M

Properties

• Boiling point: 420.433°C at 760 mmHg (Cal.)
• Flash point: 208.071°C (Cal.)