5-(Methylsulfanyl)-1-phenyl-1H-pyrazole-3-carbaldehyde
[CAS# 871110-04-2]

Identification

• Name: 5-(Methylsulfanyl)-1-phenyl-1H-pyrazole-3-carbaldehyde
• Synonyms: 1H-PYRAZOLE-3-CARBOXALDEHYDE,5-(METHYLTHIO)-1-PHENYL-
• Molecular Formula: C₁₁H₁₀N₂OS
• Molecular Weight: 218.27
• CAS Registry Number: 871110-04-2
• SMILES: O=Cc2nn(c1ccccc1)c(SC)c2
• InChI: 1S/C11H10N2OS/c1-15-11-7-9(8-14)12-13(11)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: DWUXSODBPBHPEY-UHFFFAOYSA-N

Properties

• Density: 1.219g/cm³ (Cal.)
• Boiling point: 376.891°C at 760 mmHg (Cal.)
• Flash point: 181.738°C (Cal.)
• Refractive index: 1.629 (Cal.)