5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-1989 |
| Compound Name: | 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 281.76 |
| Molecular Formula: | C12 H12 Cl N3 O S |
| Smiles: | C=CCn1c(COc2ccc(cc2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.583 |
| logD: | 2.1585 |
| logSw: | -2.9946 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4397 |
| InChI Key: | DGUCHXFAQSKIJN-UHFFFAOYSA-N |