5-[(1H-1,2,4-Triazol-3-ylsulfanyl)methyl]-2-furoic acid
[CAS# 915920-97-7]

Identification

• Name: 5-[(1H-1,2,4-Triazol-3-ylsulfanyl)methyl]-2-furoic acid
• Synonyms: 5-(((4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylic acid; 5-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]furan-2-carboxylic acid; 5-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-2-furoic acid
• Molecular Formula: C₈H₇N₃O₃S
• Molecular Weight: 225.22
• CAS Registry Number: 915920-97-7
• SMILES: OC(=O)c2ccc(CSc1ncnn1)o2
• InChI: 1S/C8H7N3O3S/c12-7(13)6-2-1-5(14-6)3-15-8-9-4-10-11-8/h1-2,4H,3H2,(H,12,13)(H,9,10,11)
• InChIKey: GNWPFJRHXNYZJV-UHFFFAOYSA-N

Properties

• Density: 1.618g/cm³ (Cal.)
• Boiling point: 529.75°C at 760 mmHg (Cal.)
• Flash point: 274.183°C (Cal.)
• Refractive index: 1.676 (Cal.)