1-(3-Methyl-5-sulfanyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)ethanone
[CAS# 65348-44-9]

Identification

• Name: 1-(3-Methyl-5-sulfanyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)ethanone
• Synonyms: 1-(5-mercapto-3-methyl-1H-1,2,4-triazol-4(5H)-yl)ethanone
• Molecular Formula: C₅H₉N₃OS
• Molecular Weight: 159.21
• CAS Registry Number: 65348-44-9
• SMILES: CC1=NNC(N1C(=O)C)S
• InChI: 1S/C5H9N3OS/c1-3-6-7-5(10)8(3)4(2)9/h5,7,10H,1-2H3
• InChIKey: BBPFBLZGVNGMMF-UHFFFAOYSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 242.955°C at 760 mmHg (Cal.)
• Flash point: 100.736°C (Cal.)