Methyl 1-(4-cyanophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylate
[CAS# 640727-98-6]

Identification

• Name: Methyl 1-(4-cyanophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxylate
• Synonyms: 1-(4-Cyanophényl)-5-[4-(méthylsulfanyl)phényl]-1H-pyrazole-3-carboxylate de méthyle; 1H-Pyrazole-3-carboxylic acid, 1-(4-cyanophenyl)-5-[4-(methylthio)phenyl]-, methyl ester; 1H-PYRAZOLE-3-CARBOXYLICACID, 1-(4-CYANOPHENYL)-5-[4-(METHYLTHIO)PHENYL]-, METHYL ESTER
• Molecular Formula: C₁₉H₁₅N₃O₂S
• Molecular Weight: 349.41
• CAS Registry Number: 640727-98-6
• SMILES: COC(=O)c1cc(n(n1)c2ccc(cc2)C#N)c3ccc(cc3)SC
• InChI: 1S/C19H15N3O2S/c1-24-19(23)17-11-18(14-5-9-16(25-2)10-6-14)22(21-17)15-7-3-13(12-20)4-8-15/h3-11H,1-2H3
• InChIKey: VAWTZMMXBAIPDL-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 558.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 291.8±30.1°C (Cal.)
• Refractive index: 1.637 (Cal.)