3-(5-Thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propanenitrile
[CAS# 774140-20-4]

Identification

• Name: 3-(5-Thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)propanenitrile
• Synonyms: 3-(5-thioxo-1H-1,2,4-triazol-4(5H)-yl)propanenitrile
• Molecular Formula: C₅H₆N₄S
• Molecular Weight: 154.19
• CAS Registry Number: 774140-20-4
• SMILES: c1n[nH]c(=S)n1CCC#N
• InChI: 1S/C5H6N4S/c6-2-1-3-9-4-7-8-5(9)10/h4H,1,3H2,(H,8,10)
• InChIKey: JWBQBOJPEUPSBH-UHFFFAOYSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 282.932°C at 760 mmHg (Cal.)
• Flash point: 124.913°C (Cal.)
• Refractive index: 1.696 (Cal.)