[3-(2-Thienylmethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid
[CAS# 892874-27-0]

Identification

• Name: [3-(2-Thienylmethyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid
• Molecular Formula: C₉H₉N₃O₂S₂
• Molecular Weight: 255.32
• CAS Registry Number: 892874-27-0
• SMILES: OC(=O)CN1C(=N\NC1=S)/Cc2cccs2
• InChI: 1S/C9H9N3O2S2/c13-8(14)5-12-7(10-11-9(12)15)4-6-2-1-3-16-6/h1-3H,4-5H2,(H,11,15)(H,13,14)
• InChIKey: YOFNIMYLKPTYCU-UHFFFAOYSA-N

Properties

• Density: 1.611g/cm³ (Cal.)
• Boiling point: 431.823°C at 760 mmHg (Cal.)
• Flash point: 214.959°C (Cal.)
• Refractive index: 1.769 (Cal.)