4-Methyl-3-(Methylthio)-5-(5-Nitrofuran-2-Yl)-4H-1,2,4-Triazole
[CAS# 41735-55-1]

Identification

• Name: 4-Methyl-3-(Methylthio)-5-(5-Nitrofuran-2-Yl)-4H-1,2,4-Triazole
• Synonyms: 4-Methyl-3-Methylsulfanyl-5-(5-Nitro-2-Furyl)-1,2,4-Triazole; 4-Methyl-3-(Methylthio)-5-(5-Nitro-2-Furyl)-1,2,4-Triazole; 4-Methyl-3-Methylthio-5-(5-Nitro-2-Furyl)-S-Triazole
• Molecular Formula: C₈H₈N₄O₃S
• Molecular Weight: 240.24
• CAS Registry Number: 41735-55-1
• SMILES: C2=C(C1=NN=C([N]1C)SC)OC(=C2)[N+](=O)[O-]
• InChI: 1S/C8H8N4O3S/c1-11-7(9-10-8(11)16-2)5-3-4-6(15-5)12(13)14/h3-4H,1-2H3
• InChIKey: MJPUUPSABMZSBN-UHFFFAOYSA-N

Properties

• Density: 1.61g/cm³ (Cal.)
• Boiling point: 453.332°C at 760 mmHg (Cal.)
• Flash point: 227.967°C (Cal.)