Methyl 1-Cyclohexyl-5-[4-(Methylsulfanyl)Phenyl]-1H-Pyrazole-3-Carboxylate
[CAS# 346684-16-0]

Identification

• Name: Methyl 1-Cyclohexyl-5-[4-(Methylsulfanyl)Phenyl]-1H-Pyrazole-3-Carboxylate
• Synonyms: Methyl 1-cyclohexyl-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate; Methyl 1-cyclohexyl-5-(4-methylsulfanylphenyl)-1H-pyrazole-3-carboxylate; METHYL1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
• Molecular Formula: C₁₈H₂₂N₂O₂S
• Molecular Weight: 330.44
• CAS Registry Number: 346684-16-0
• SMILES: COC(=O)c1cc(n(n1)C2CCCCC2)c3ccc(SC)cc3
• InChI: 1S/C18H22N2O2S/c1-22-18(21)16-12-17(13-8-10-15(23-2)11-9-13)20(19-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3
• InChIKey: VWRRCWBPCLKKTA-UHFFFAOYSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 501.885°C at 760 mmHg (Cal.)
• Flash point: 257.331°C (Cal.)
• Refractive index: 1.621 (Cal.)