4-Allyl-5-(2,6-Dihydroxyphenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 29213-05-6]

Identification

• Name: 4-Allyl-5-(2,6-Dihydroxyphenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: (6Z)-6-(4-Allyl-5-Thioxo-1,2,4-Triazolidin-3-Ylidene)-5-Hydroxy-Cyclohexa-2,4-Dien-1-One; (6Z)-6-(4-Allyl-5-Thioxo-1,2,4-Triazolidin-3-Ylidene)-5-Hydroxy-1-Cyclohexa-2,4-Dienone; 4-Allyl-5-(2,6-Dihydroxyphenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Molecular Formula: C₁₁H₁₁N₃O₂S
• Molecular Weight: 249.29
• CAS Registry Number: 29213-05-6
• EINECS: 249-513-3
• SMILES: C(N1\C(NNC1=S)=C2/C(=CC=CC2=O)O)C=C
• InChI: 1S/C11H11N3O2S/c1-2-6-14-10(12-13-11(14)17)9-7(15)4-3-5-8(9)16/h2-5,12,15H,1,6H2,(H,13,17)/b10-9+
• InChIKey: TWRHANPTZXMRDQ-MDZDMXLPSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 314.942°C at 760 mmHg (Cal.)
• Flash point: 144.272°C (Cal.)