3-((1-Methyl-4-nitro-5-imidazolyl)thio)-1H-1,2,4-triazole
[CAS# 91300-62-8]

Identification

• Name: 3-((1-Methyl-4-nitro-5-imidazolyl)thio)-1H-1,2,4-triazole
• Synonyms: 3-(3-Methyl-5-Nitroimidazol-4-Yl)Sulfanyl-2H-1,2,4-Triazole; N-[1-Methyl-5-(2H-1,2,4-Triazol-3-Ylsulfanyl)Imidazol-4-Yl]-N-Oxidohydroxylamine; N-[1-Methyl-5-(2H-1,2,4-Triazol-3-Ylsulfanyl)Imidazol-4-Yl]-N-Oxido-Hydroxylamine
• Molecular Formula: C₆H₆N₆O₂S
• Molecular Weight: 226.21
• CAS Registry Number: 91300-62-8
• SMILES: C2=NC(=C(SC1=NC=N[NH]1)[N]2C)[N+]([O-])=O
• InChI: 1S/C6H6N6O2S/c1-11-3-8-4(12(13)14)5(11)15-6-7-2-9-10-6/h2-3H,1H3,(H,7,9,10)
• InChIKey: YUPUITJUYVPDSP-UHFFFAOYSA-N

Properties

• Density: 1.872g/cm³ (Cal.)
• Boiling point: 594.953°C at 760 mmHg (Cal.)
• Flash point: 313.617°C (Cal.)