5-Mercapto-1-Methyl-4-Nitroimidazole
[CAS# 6339-54-4]

Identification

• Name: 5-Mercapto-1-Methyl-4-Nitroimidazole
• Synonyms: N-Hydroxy-1-Methyl-5-Sulfanylimidazol-4-Amine Oxide; N-(1-Methyl-5-Sulfanylimidazol-4-Yl)-N-Oxidohydroxylamine; 3-Methyl-5-Nitro-Imidazole-4-Thiol
• Molecular Formula: C₄H₅N₃O₂S
• Molecular Weight: 159.16
• CAS Registry Number: 6339-54-4
• SMILES: C1=NC(=C([N]1C)S)[N+]([O-])=O
• InChI: 1S/C4H5N3O2S/c1-6-2-5-3(4(6)10)7(8)9/h2,10H,1H3
• InChIKey: DPGGDVPPQMXEOF-UHFFFAOYSA-N

Properties

• Density: 1.642g/cm³ (Cal.)
• Boiling point: 391.293°C at 760 mmHg (Cal.)
• Flash point: 190.448°C (Cal.)