5-(4-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-(4-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|CBDivE_006847|5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazole-3-thione|3-(4-Nitrophenyl)-1H-1,2,4-triazole-5-thiol|5-(4-nitrophenyl)-1H-1,2,4-triazole-3-thiol|3-(4-nitrophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione|J1.098.479C|5-(4-Nitrophenyl)-1H-1,2,4-triazole-3(2H)-thione|3-(p-nitrophenyl)-5-mercapto-4H-1,2,4-triazole|5-(4-nitrophenyl)-4H-[1,2,4]triazole-3-thiol|3-(4-Nitrophenyl)-1H-1,2,4-triazole-5(4H)-thione|3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-(4-nitrophenyl)-|3H-1,2,4-triazole-3-thione, 2,4-dihydro-5-(4-nitrophenyl)-|5-(4-NITROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL|3-(4-nitrophenyl)-1,4-dihydro-1,2,4-triazole-5-thione|5-(4-nitrophenyl)-2,4-dihydro-1,2,4-triazole-3-thione|5-(4-Nitrophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C8H6N4O2S |
|---|---|
| Molecular Weight | 222.02115 g/mol |
| LogP | 2.04249 |
| Topological Polar Surface Area | 87.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02115 |
| Monoisotopic Mass | 222.02115 |
| Heavy Atoms | 15 |
| Complexity | 542.26935 |
Chemical Identifiers
| CAS Number | 6898-56-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=S)NN2)[N+](=O)[O-] |
Product Overview
5-(4-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 6898-56-2), with molecular formula C8H6N4O2S and molecular weight 222.02115 g/mol. IUPAC: 5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazole-3-thione.