3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione|5-(3-(tert-butyl)-1H-pyrazol-5-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol|5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol|5-(5-tert-Butyl-2H-pyrazol-3-yl)-4-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol|5-(5-tert-Butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H16ClN5S |
|---|---|
| Molecular Weight | 333.08148 g/mol |
| LogP | 4.27089 |
| Topological Polar Surface Area | 62.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.08148 |
| Monoisotopic Mass | 333.08148 |
| Heavy Atoms | 22 |
| Complexity | 851.1829 |
Chemical Identifiers
| CAS Number | 879567-71-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC=C(C=C3)Cl |
Product Overview
3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione (CAS 879567-71-2), with molecular formula C15H16ClN5S and molecular weight 333.08148 g/mol. IUPAC: 3-(5-tert-butyl-1H-pyrazol-3-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione.