4-Methyl-5-[(4-Methylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 309726-20-3]

Identification

• Name: 4-Methyl-5-[(4-Methylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazole-3-thiol; 4-Methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol; A2222/0093579
• Molecular Formula: C₁₁H₁₃N₃OS
• Molecular Weight: 235.31
• CAS Registry Number: 309726-20-3
• SMILES: CC1=CC=C(C=C1)OCC2=NN=C(N2C)S
• InChI: 1S/C11H13N3OS/c1-8-3-5-9(6-4-8)15-7-10-12-13-11(16)14(10)2/h3-6H,7H2,1-2H3,(H,13,16)
• InChIKey: UJGSEVWOQOHWGU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 428.1±47.0°C at 760 mmHg (Cal.)
• Flash point: 212.7±29.3°C (Cal.)
• Refractive index: 1.633 (Cal.)

Safety Data

• Safety Description: IRRITANT