5-(3-methyl-2-nitrophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-methyl-2-nitrophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(3-methyl-2-nitrophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0189 |
| Compound Name: | 5-(3-methyl-2-nitrophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C13 H14 N4 O2 S |
| Smiles: | CC(=C)Cn1c(c2cccc(C)c2[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.2638 |
| logD: | 2.6333 |
| logSw: | -3.6093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.766 |
| InChI Key: | PUBFRHXTIKNIPW-UHFFFAOYSA-N |