3-Isopropyl-5-(methylsulfanyl)-1-phenyl-1H-pyrazole
[CAS# 871110-03-1]

Identification

• Name: 3-Isopropyl-5-(methylsulfanyl)-1-phenyl-1H-pyrazole
• Synonyms: 1H-PYRAZOLE,3-(1-METHYLETHYL)-5-(METHYLTHIO)-1-PHENYL-
• Molecular Formula: C₁₃H₁₆N₂S
• Molecular Weight: 232.34
• CAS Registry Number: 871110-03-1
• SMILES: S(c2cc(nn2c1ccccc1)C(C)C)C
• InChI: 1S/C13H16N2S/c1-10(2)12-9-13(16-3)15(14-12)11-7-5-4-6-8-11/h4-10H,1-3H3
• InChIKey: ZCAKZZASORNYBN-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.)