[5-Furan-2-Yl-4-(2-Methyl-Allyl)-4 H-[1,2,4]Triazol-3-Ylsulfanyl]-Acetic Acid
[CAS 307327-49-7]

Identification

• Name: [5-Furan-2-Yl-4-(2-Methyl-Allyl)-4 H-[1,2,4]Triazol-3-Ylsulfanyl]-Acetic Acid
• Synonyms: 2-[[5-(2-Furyl)-4-(2-Methylprop-2-Enyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate; 2-[[5-(2-Furyl)-4-(2-Methylprop-2-Enyl)-1,2,4-Triazol-3-Yl]Thio]Acetate; 2-[[5-Furan-2-Yl-4-(2-Methylprop-2-Enyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Ethanoate
• Molecular Formula: C₁₂H₁₂N₃O₃S
• Molecular Weight: 278.31
• CAS Registry Number: 307327-49-7
• SMILES: C1=C(OC=C1)C2=NN=C(SCC([O-])=O)[N]2CC(=C)C
• InChI: 1S/C12H13N3O3S/c1-8(2)6-15-11(9-4-3-5-18-9)13-14-12(15)19-7-10(16)17/h3-5H,1,6-7H2,2H3,(H,16,17)/p-1
• InChIKey: GJLSYSQHYWGJCO-UHFFFAOYSA-M

Properties

• Boiling point: 504.009°C at 760 mmHg (Cal.)
• Flash point: 258.616°C (Cal.)