4-(4-Ethylphenyl)-5-methyl-4H-1,2,4-triazole-3-thiol
[CAS# 663181-79-1]

Identification

• Name: 4-(4-Ethylphenyl)-5-methyl-4H-1,2,4-triazole-3-thiol
• Synonyms: 3-thiol; 4-(4-ethylphenyl)-3-methyl-1H-1,2,4-triazole-5(4H)-thione; 4-(4-ethylphenyl)-5-methyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₁H₁₃N₃S
• Molecular Weight: 219.31
• CAS Registry Number: 663181-79-1
• SMILES: CCC1=CC=C(C=C1)N2C(=NN=C2S)C
• InChI: 1S/C11H13N3S/c1-3-9-4-6-10(7-5-9)14-8(2)12-13-11(14)15/h4-7H,3H2,1-2H3,(H,13,15)
• InChIKey: UTRPRTZAONVXSZ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 381.1±35.0°C at 760 mmHg (Cal.)
• Flash point: 184.3±25.9°C (Cal.)
• Refractive index: 1.645 (Cal.)