2-(3,4,5-Trimethoxyphenyl)-[1,3]Thiazolo[2,3-e][1,2,4]Triazol-6-One
[CAS# 77803-67-9]

Identification

• Name: 2-(3,4,5-Trimethoxyphenyl)-[1,3]Thiazolo[2,3-e][1,2,4]Triazol-6-One
• Synonyms: 2-(3,4,5-Trimethoxyphenyl)Thiazolo[2,3-E][1,2,4]Triazol-6-One; 2-(3,4,5-Trimethoxyphenyl)-6-Thiazolo[2,3-E][1,2,4]Triazolone; 2-(3,4,5-Trimethoxyphenyl)Thiazolo(3,2-B)(1,2,4)Triazol-6(5H)-One
• Molecular Formula: C₁₃H₁₃N₃O₄S
• Molecular Weight: 307.32
• CAS Registry Number: 77803-67-9
• SMILES: C1=C(C(=C(C=C1C2=N[N]3C(=N2)SCC3=O)OC)OC)OC
• InChI: 1S/C13H13N3O4S/c1-18-8-4-7(5-9(19-2)11(8)20-3)12-14-13-16(15-12)10(17)6-21-13/h4-5H,6H2,1-3H3
• InChIKey: ADAKONVVCZKISH-UHFFFAOYSA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 511.506°C at 760 mmHg (Cal.)
• Flash point: 263.15°C (Cal.)