3H-1,2,4-Triazole-3-thione, 1,2-dihydro-2-methyl-5-(5-nitro-2-furanyl)-

Base Information

• Chemical Name: 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-2-methyl-5-(5-nitro-2-furanyl)-
• CAS No.: 61323-57-7
• Molecular Formula: C7H6N4O3S
• DSSTox Substance ID: DTXSID70487647
• Wikidata: Q82329780

Synonyms:61323-57-7;2-Methyl-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazole-3(2H)-thione;3H-1,2,4-Triazole-3-thione, 1,2-dihydro-2-methyl-5-(5-nitro-2-furanyl)-;DTXSID70487647

Chemical Property of 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-2-methyl-5-(5-nitro-2-furanyl)-

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 226.01606124
• Heavy Atom Count: 15
• Complexity: 340

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C(=S)N=C(N1)C2=CC=C(O2)[N+](=O)[O-]

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