4-Isopropyl-5-(Methylsulfanyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 53159-32-3]

Identification

• Name: 4-Isopropyl-5-(Methylsulfanyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 4-isopropyl-3-(methylthio)-1H-1,2,4-triazol-5(4H)-one; ZINC00115547
• Molecular Formula: C₆H₁₁N₃OS
• Molecular Weight: 173.24
• CAS Registry Number: 53159-32-3
• SMILES: O=C1N(C(\SC)=N/N1)C(C)C
• InChI: 1S/C6H11N3OS/c1-4(2)9-5(10)7-8-6(9)11-3/h4H,1-3H3,(H,7,10)
• InChIKey: RAXHZVOSSAQFQA-UHFFFAOYSA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Boiling point: 369.2°C at 760 mmHg (Cal.)
• Flash point: 177.1°C (Cal.)