3-{[4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
[CAS# 838843-11-1]

Identification

• Name: 3-{[4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid
• Synonyms: 3-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid; 3-([4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-; 3-([4-Methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio)propanoic acid
• Molecular Formula: C₁₁H₁₂N₄O₂S
• Molecular Weight: 264.30
• CAS Registry Number: 838843-11-1
• SMILES: CN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2
• InChI: 1S/C11H12N4O2S/c1-15-10(8-2-5-12-6-3-8)13-14-11(15)18-7-4-9(16)17/h2-3,5-6H,4,7H2,1H3,(H,16,17)
• InChIKey: IEPTYDFAOLPKKJ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 559.5±60.0°C at 760 mmHg (Cal.)
• Flash point: 292.2±32.9°C (Cal.)
• Refractive index: 1.684 (Cal.)

Safety Data

• Safety Description: IRRITANT