3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine

Base Information

• Chemical Name: 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine
• CAS No.: 5808-50-4
• Molecular Formula: C22H16N4O2S
• Molecular Weight: 400.453
• European Community (EC) Number: 648-967-3
• DSSTox Substance ID: DTXSID30386723
• Wikidata: Q82180348

Synonyms:3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine;5808-50-4;CBMicro_048570;Oprea1_164739;Oprea1_707382;3-(4-Nitro-benzylsulfanyl)-5,6-diphenyl-[1,2,4]triazine;DTXSID30386723;3-[(4-nitrophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine;AKOS001596653;332109-90-7;BIM-0048467.P001;SR-01000426817;SR-01000426817-1

Chemical Property of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine

Chemical Property:

• Vapor Pressure: 8.11E-15mmHg at 25°C
• Boiling Point: 624°C at 760 mmHg
• Flash Point: 331.2°C
• Density: 1.38g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 400.09939694
• Heavy Atom Count: 29
• Complexity: 511

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

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