5-(1,3-Benzodioxol-5-Yl)-2,4-Dimethyl-1,2,4-Triazole-3-Thione
[CAS# 110623-40-0]

Identification

• Name: 5-(1,3-Benzodioxol-5-Yl)-2,4-Dimethyl-1,2,4-Triazole-3-Thione
• Synonyms: 2,4-Dihydro-5-(1,3-Benzodioxol-5-Yl)-2,4-Dimethyl-3H-1,2,4-Triazole-3-Thione; 3H-1,2,4-Triazole-3-Thione, 2,4-Dihydro-5-(1,3-Benzodioxol-5-Yl)-2,4-Dimethyl-; Brn 6731471
• Molecular Formula: C₁₁H₁₁N₃O₂S
• Molecular Weight: 249.29
• CAS Registry Number: 110623-40-0
• SMILES: C2=C1OCOC1=CC=C2C3=NN(C(N3C)=S)C
• InChI: 1S/C11H11N3O2S/c1-13-10(12-14(2)11(13)17)7-3-4-8-9(5-7)16-6-15-8/h3-5H,6H2,1-2H3
• InChIKey: VWCOOYWSPUKLGH-UHFFFAOYSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 332.88°C at 760 mmHg (Cal.)
• Flash point: 155.12°C (Cal.)