5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione
Chemical Structure Depiction of
5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione
5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione
Compound characteristics
| Compound ID: | 3448-5873 |
| Compound Name: | 5-butyl-2-(4-chlorophenyl)-5-methyl-1,2,4-triazolidine-3-thione |
| Molecular Weight: | 283.82 |
| Molecular Formula: | C13 H18 Cl N3 S |
| Smiles: | CCCCC1(C)NC(N(c2ccc(cc2)[Cl])N1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3235 |
| logD: | 4.3235 |
| logSw: | -4.5232 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 27.5912 |
| InChI Key: | UYYVTKPFROATSQ-ZDUSSCGKSA-N |