1-(4-Cyanophenyl)-5-[4-(Methylsulfanyl)Phenyl]-1H-Pyrazole-3-Carboxylic Acid
[CAS# 151507-00-5]

Identification

• Name: 1-(4-Cyanophenyl)-5-[4-(Methylsulfanyl)Phenyl]-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 1-(4-Cyanophenyl)-5-(4-methylsulfanylphenyl)-1H-pyrazole-3-carboxylicacid
• Molecular Formula: C₁₈H₁₃N₃O₂S
• Molecular Weight: 335.38
• CAS Registry Number: 151507-00-5
• SMILES: OC(=O)c1cc(n(n1)c2ccc(C#N)cc2)c3ccc(SC)cc3
• InChI: 1S/C18H13N3O2S/c1-24-15-8-4-13(5-9-15)17-10-16(18(22)23)20-21(17)14-6-2-12(11-19)3-7-14/h2-10H,1H3,(H,22,23)
• InChIKey: SWUVSAXWIJQXFN-UHFFFAOYSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 601.243°C at 760 mmHg (Cal.)
• Flash point: 317.42°C (Cal.)
• Refractive index: 1.67 (Cal.)