1-(1-Methyl-5-Sulfanyl-1H-Pyrazol-4-Yl)Ethanone
[CAS# 111493-63-1]

Identification

• Name: 1-(1-Methyl-5-Sulfanyl-1H-Pyrazol-4-Yl)Ethanone
• Synonyms: 1-(5-mercapto-1-methyl-1H-pyrazol-4-yl)ethanone
• Molecular Formula: C₆H₈N₂OS
• Molecular Weight: 156.21
• CAS Registry Number: 111493-63-1
• SMILES: CC(=O)c1cnn(c1S)C
• InChI: 1S/C6H8N2OS/c1-4(9)5-3-7-8(2)6(5)10/h3,10H,1-2H3
• InChIKey: KUXAWPPBUDLFED-UHFFFAOYSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 290.135°C at 760 mmHg (Cal.)
• Flash point: 129.27°C (Cal.)
• Refractive index: 1.625 (Cal.)