5-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-furaldehyde
[CAS# 938459-16-6]

Identification

• Name: 5-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-furaldehyde
• Synonyms: 5-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde; MFCD09055399
• Molecular Formula: C₈H₇N₃O₂S
• Molecular Weight: 209.23
• CAS Registry Number: 938459-16-6
• SMILES: Cn1cnnc1Sc2ccc(o2)C=O
• InChI: 1S/C8H7N3O2S/c1-11-5-9-10-8(11)14-7-3-2-6(4-12)13-7/h2-5H,1H3
• InChIKey: KMBWSLQWLYHFMA-UHFFFAOYSA-N

Properties

• Density: 1.474g/cm³ (Cal.)
• Boiling point: 448.642°C at 760 mmHg (Cal.)
• Flash point: 225.131°C (Cal.)
• Refractive index: 1.689 (Cal.)