4-Amino-5-[(2,4-Dimethylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 117480-89-4]

Identification

• Name: 4-Amino-5-[(2,4-Dimethylphenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: T5232711; Zinc04206442
• Molecular Formula: C₁₁H₁₄N₄OS
• Molecular Weight: 250.32
• CAS Registry Number: 117480-89-4
• SMILES: C1=C(C=CC(=C1C)OCC2=NNC(=S)N2N)C
• InChI: 1S/C11H14N4OS/c1-7-3-4-9(8(2)5-7)16-6-10-13-14-11(17)15(10)12/h3-5H,6,12H2,1-2H3,(H,14,17)
• InChIKey: CKKNRSAFAAAFSE-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 386.879°C at 760 mmHg (Cal.)
• Flash point: 187.778°C (Cal.)