1-Isopropyl-5-(Methylsulfanyl)-1,2-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 42838-38-0]

Identification

• Name: 1-Isopropyl-5-(Methylsulfanyl)-1,2-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 1-isopropyl-5-(methylthio)-1H-1,2,4-triazol-3(2H)-one
• Molecular Formula: C₆H₁₁N₃OS
• Molecular Weight: 173.24
• CAS Registry Number: 42838-38-0
• SMILES: CSc1nc(O)nn1C(C)C
• InChI: 1S/C6H11N3OS/c1-4(2)9-6(11-3)7-5(10)8-9/h4H,1-3H3,(H,8,10)
• InChIKey: GPLIEVZOSLZRMR-UHFFFAOYSA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Boiling point: 369.152°C at 760 mmHg (Cal.)
• Flash point: 177.057°C (Cal.)