1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1H-1,2,4-triazole

Base Information

• Chemical Name: 1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1H-1,2,4-triazole
• CAS No.: 5187-06-4
• Molecular Formula: C6H7N7O2S
• Molecular Weight: 241.2305
• DSSTox Substance ID: DTXSID30363655
• Wikidata: Q82147394
• ChEMBL ID: CHEMBL1503582

Synonyms:BAS 08317184;5187-06-4;MLS000708672;CHEMBL1503582;DTXSID30363655;HMS2591O14;STK208523;AKOS000639396;CCG-119495;SMR000289239;1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1H-1,2,4-triazole

Chemical Property of 1-methyl-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-1H-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 6.01E-13mmHg at 25°C
• Boiling Point: 568.7°Cat760mmHg
• Flash Point: 297.7°C
• Density: 1.84g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 241.03819367
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NN=C1SC2=NC(=NN2C)[N+](=O)[O-]

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