5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 4719-0279 |
| Compound Name: | 5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 191.25 |
| Molecular Formula: | C9 H9 N3 S |
| Smiles: | Cc1ccc(cc1)C1NC(NN=1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.2863 |
| logD: | -1.4948 |
| logSw: | -2.4028 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.399 |
| InChI Key: | DEVMOFPQIPHPDM-UHFFFAOYSA-N |