5-(3-Methyl-2-Nitrophenyl)-4-(2-Methyl-2-Propen-1-Yl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 328556-89-4]

Identification

• Name: 5-(3-Methyl-2-Nitrophenyl)-4-(2-Methyl-2-Propen-1-Yl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 4-(2-Methyl-allyl)-5-(3-methyl-2-nitro-phenyl)-4H-[1,2,4]triazole-3-thiol; 5-(3-methyl-2-nitrophenyl)-4-(2-methyl-2-propen-1-yl)-4H-1,2,4-triazole-3-thiol; 5-(3-methyl-2-nitrophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₃H₁₄N₄O₂S
• Molecular Weight: 290.34
• CAS Registry Number: 328556-89-4
• SMILES: S=C1N(\C(=N/N1)c2cccc(c2[N+]([O-])=O)C)C\C(=C)C
• InChI: 1S/C13H14N4O2S/c1-8(2)7-16-12(14-15-13(16)20)10-6-4-5-9(3)11(10)17(18)19/h4-6H,1,7H2,2-3H3,(H,15,20)
• InChIKey: PUBFRHXTIKNIPW-UHFFFAOYSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 409.345°C at 760 mmHg (Cal.)
• Flash point: 201.365°C (Cal.)
• Refractive index: 1.659 (Cal.)