5-Isopropyl-3-(methylsulfanyl)-1-phenyl-1H-pyrazole
[CAS# 871110-18-8]

Identification

• Name: 5-Isopropyl-3-(methylsulfanyl)-1-phenyl-1H-pyrazole
• Synonyms: 1H-PYRAZOLE,5-(1-METHYLETHYL)-3-(METHYLTHIO)-1-PHENYL-; 5-ISOPROPYL-3-METHYLTHIO-1-PHENYL-1H-PYRAZOLE
• Molecular Formula: C₁₃H₁₆N₂S
• Molecular Weight: 232.34
• CAS Registry Number: 871110-18-8
• SMILES: S(c2nn(c1ccccc1)c(c2)C(C)C)C
• InChI: 1S/C13H16N2S/c1-10(2)12-9-13(16-3)14-15(12)11-7-5-4-6-8-11/h4-10H,1-3H3
• InChIKey: VZVHKUXZKCZZNS-UHFFFAOYSA-N

Properties

• Density: 1.095g/cm³ (Cal.)
• Boiling point: 341.902°C at 760 mmHg (Cal.)
• Flash point: 160.577°C (Cal.)
• Refractive index: 1.59 (Cal.)