4-Methyl-5-(4-Methylphenyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 138417-37-5]

Identification

• Name: 4-Methyl-5-(4-Methylphenyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 3-thiol; 4-methyl-5-(4-methylphenyl)-1,2,4-triazole-3-thiol; 4-methyl-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₀H₁₁N₃S
• Molecular Weight: 205.28
• CAS Registry Number: 138417-37-5
• SMILES: CC1=CC=C(C=C1)C2=NN=C(N2C)S
• InChI: 1S/C10H11N3S/c1-7-3-5-8(6-4-7)9-11-12-10(14)13(9)2/h3-6H,1-2H3,(H,12,14)
• InChIKey: MYBRNSIBHZNBGY-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 373.3±35.0°C at 760 mmHg (Cal.)
• Flash point: 179.6±25.9°C (Cal.)
• Refractive index: 1.662 (Cal.)

Safety Data

• Safety Description: IRRITANT