3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Base Information

• Chemical Name: 3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
• CAS No.: 727395-06-4
• Molecular Formula: C9H9N5O2S
• DSSTox Substance ID: DTXSID901319778
• ChEMBL ID: CHEMBL1880809

Synonyms:3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine;727395-06-4;MLS001216047;CHEMBL1880809;3-[(3-nitrobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine;DTXSID901319778;HMS2871H20;STK210389;AKOS002267713;SMR000544509;3-(((3-nitrophenyl)methyl)sulfanyl)-1H-1,2,4-triazol-5-amine

Chemical Property of 3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 251.04769572
• Heavy Atom Count: 17
• Complexity: 275

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• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NNC(=N2)N

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