2-[3-(3,4,5-Trimethoxyphenyl)-7H-[1,2,4]Triazolo[3,4-b][1,3,4]Thiadiazin-6-Yl]Acetic Acid
[CAS# 126598-30-9]

Identification

• Name: 2-[3-(3,4,5-Trimethoxyphenyl)-7H-[1,2,4]Triazolo[3,4-b][1,3,4]Thiadiazin-6-Yl]Acetic Acid
• Synonyms: 2-[3-(3,4,5-Trimethoxyphenyl)-7H-[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazin-6-Yl]Ethanoic Acid; 3-(3,4,5-Trimethoxyphenyl)-7H-1,2,4-Triazolo(3,4-B)(1,3,4)Thiadiazine-6-Acetic Acid; 7H-1,2,4-Triazolo(3,4-B)(1,3,4)Thiadiazine-6-Acetic Acid, 3-(3,4,5-Trimethoxyphenyl)-
• Molecular Formula: C₁₅H₁₆N₄O₅S
• Molecular Weight: 364.38
• CAS Registry Number: 126598-30-9
• SMILES: C1=C(C(=C(C=C1C2=NN=C3SCC(=N[N]23)CC(=O)O)OC)OC)OC
• InChI: 1S/C15H16N4O5S/c1-22-10-4-8(5-11(23-2)13(10)24-3)14-16-17-15-19(14)18-9(7-25-15)6-12(20)21/h4-5H,6-7H2,1-3H3,(H,20,21)
• InChIKey: GPAAEEJPAGNGKP-UHFFFAOYSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 624.058°C at 760 mmHg (Cal.)
• Flash point: 331.219°C (Cal.)