4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 113399-90-9
• Molecular Formula: C13H11N5S
• DSSTox Substance ID: DTXSID301322270
• Wikidata: Q27208850
• ChEMBL ID: CHEMBL1369476
• Mol file: 113399-90-9.mol

Synonyms:4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol;113399-90-9;4-(4-methylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione;MLS000664032;CHEMBL1369476;CHEBI:120714;DTXSID301322270;HMS2695E16;STK777034;STK851921;AKOS000268543;AKOS005629853;SMR000295098;CS-0222184;EN300-110608;SR-01000283371;SR-01000283371-1;Q27208850;5-Pyrazin-2-yl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol;4-(4-methylphenyl)-3-(2-pyrazinyl)-1H-1,2,4-triazole-5-thione;4-(4-methylphenyl)-5-(2-pyrazinyl)-4H-1,2,4-triazole-3-thiol;4-(4-METHYLPHENYL)-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE;4-(4-methylphenyl)-5-(pyrazin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 269.07351655
• Heavy Atom Count: 19
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NC=CN=C3

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