4-(2-methylprop-2-en-1-yl)-5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-methylprop-2-en-1-yl)-5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol
4-(2-methylprop-2-en-1-yl)-5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 1175-0004 |
| Compound Name: | 4-(2-methylprop-2-en-1-yl)-5-(3-nitrophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C12 H12 N4 O2 S |
| Smiles: | CC(=C)Cn1c(c2cccc(c2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.0926 |
| logD: | 2.4622 |
| logSw: | -3.2123 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.368 |
| InChI Key: | CZNDCWPMEWXZST-UHFFFAOYSA-N |