5-(Octylsulfanyl)-1H-1,2,4-triazole
[CAS# 80755-99-3]

Identification

• Name: 5-(Octylsulfanyl)-1H-1,2,4-triazole
• Synonyms: 3-OCTYLTHIO-4H-1,2,4-TRIAZOLE; 5-octylthio-1H-1,2,4-triazole
• Molecular Formula: C₁₀H₁₉N₃S
• Molecular Weight: 213.34
• CAS Registry Number: 80755-99-3
• SMILES: S(c1ncnn1)CCCCCCCC
• InChI: 1S/C10H19N3S/c1-2-3-4-5-6-7-8-14-10-11-9-12-13-10/h9H,2-8H2,1H3,(H,11,12,13)
• InChIKey: KFBKNAOPZZGVQT-UHFFFAOYSA-N

Properties

• Density: 1.062g/cm³ (Cal.)
• Boiling point: 360.102°C at 760 mmHg (Cal.)
• Flash point: 171.584°C (Cal.)