{[5-(2-Propoxyphenyl)-1H-1,2,4-Triazol-3-Yl]Sulfanyl}Acetic Acid
[CAS# 50616-43-8]

Identification

• Name: {[5-(2-Propoxyphenyl)-1H-1,2,4-Triazol-3-Yl]Sulfanyl}Acetic Acid
• Synonyms: [5-(2-Propoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid; {[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid; {[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid
• Molecular Formula: C₁₃H₁₅N₃O₃S
• Molecular Weight: 293.34
• CAS Registry Number: 50616-43-8
• SMILES: O=C(O)CSc2nc(c1c(OCCC)cccc1)nn2
• InChI: 1S/C13H15N3O3S/c1-2-7-19-10-6-4-3-5-9(10)12-14-13(16-15-12)20-8-11(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H,14,15,16)
• InChIKey: YNFLBEPODGBOGL-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 560.192°C at 760 mmHg (Cal.)
• Flash point: 292.594°C (Cal.)