4-(4-Methylphenyl)-5-(4-Pyridinyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 16629-43-9]

Identification

• Name: 4-(4-Methylphenyl)-5-(4-Pyridinyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 3H-1,2,4-triazole-3-thione, 2,4-dihydro-4-(4-methylphenyl)-5-(4-pyridinyl)-
• Molecular Formula: C₁₄H₁₂N₄S
• Molecular Weight: 268.34
• CAS Registry Number: 16629-43-9
• SMILES: CC1=CC=C(C=C1)N2C(=NN=C2S)C3=CC=NC=C3
• InChI: 1S/C14H12N4S/c1-10-2-4-12(5-3-10)18-13(16-17-14(18)19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)
• InChIKey: MGRYIEKQCFTPFU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 490.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 250.4±31.5°C (Cal.)
• Refractive index: 1.704 (Cal.)

References

• (1): L. Govindasamy, D. Velmurugan, A. Senthilvelan, I.-H. Suh. 4-(4-Methylphenyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5(4H)-thione, Acta Cryst C 1999 Volume 55 Part 12 Page 2098-2100