3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 6529-0225 |
| Compound Name: | 3-(4-chlorophenyl)-1-(ethanesulfonyl)-5-(methylsulfanyl)-1H-1,2,4-triazole |
| Molecular Weight: | 317.81 |
| Molecular Formula: | C11 H12 Cl N3 O2 S2 |
| Smiles: | CCS(n1c(nc(c2ccc(cc2)[Cl])n1)SC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1305 |
| logD: | 3.1305 |
| logSw: | -3.6417 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.839 |
| InChI Key: | OXHDGQFMAJFGBV-UHFFFAOYSA-N |