4-Methyl-3-(Methylsulfinyl)-5-(5-Nitrofuran-2-Yl)-4H-1,2,4-Triazole
[CAS# 41834-21-3]

Identification

• Name: 4-Methyl-3-(Methylsulfinyl)-5-(5-Nitrofuran-2-Yl)-4H-1,2,4-Triazole
• Synonyms: 4-Methyl-3-Methylsulfinyl-5-(5-Nitro-2-Furyl)-1,2,4-Triazole; S-Triazole, 4-Methyl-3-Methylsulfinyl-5-(5-Nitro-2-Furyl)-; 4-Methyl-3-Methylsulfinyl-5-(5-Nitro-2-Furyl)-S-Triazole
• Molecular Formula: C₈H₈N₄O₄S
• Molecular Weight: 256.24
• CAS Registry Number: 41834-21-3
• SMILES: C1=C(OC(=C1)[N+]([O-])=O)C2=NN=C([S](=O)C)[N]2C
• InChI: 1S/C8H8N4O4S/c1-11-7(9-10-8(11)17(2)15)5-3-4-6(16-5)12(13)14/h3-4H,1-2H3
• InChIKey: SSAKYQCDONSIFS-UHFFFAOYSA-N

Properties

• Density: 1.781g/cm³ (Cal.)
• Boiling point: 523.031°C at 760 mmHg (Cal.)
• Flash point: 270.12°C (Cal.)