3-{[4-Methyl-5-(3-Pyridinyl)-4H-1,2,4-Triazol-3-Yl]Sulfanyl}Propanoic Acid
[CAS# 333786-74-6]

Identification

• Name: 3-{[4-Methyl-5-(3-Pyridinyl)-4H-1,2,4-Triazol-3-Yl]Sulfanyl}Propanoic Acid
• Synonyms: 3-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}propanoic acid; 3-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
• Molecular Formula: C₁₁H₁₂N₄O₂S
• Molecular Weight: 264.30
• CAS Registry Number: 333786-74-6
• SMILES: O=C(O)CCSc1nnc(n1C)c2cccnc2
• InChI: 1S/C11H12N4O2S/c1-15-10(8-3-2-5-12-7-8)13-14-11(15)18-6-4-9(16)17/h2-3,5,7H,4,6H2,1H3,(H,16,17)
• InChIKey: HALAQBMWVIUCDV-UHFFFAOYSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 552.012°C at 760 mmHg (Cal.)
• Flash point: 287.647°C (Cal.)
• Refractive index: 1.684 (Cal.)