2-(5-chloro-2-methoxyphenyl)-5,5-dimethyl-1,2,4-triazolidine-3-thione
Chemical Structure Depiction of
2-(5-chloro-2-methoxyphenyl)-5,5-dimethyl-1,2,4-triazolidine-3-thione
2-(5-chloro-2-methoxyphenyl)-5,5-dimethyl-1,2,4-triazolidine-3-thione
Compound characteristics
| Compound ID: | 8016-5971 |
| Compound Name: | 2-(5-chloro-2-methoxyphenyl)-5,5-dimethyl-1,2,4-triazolidine-3-thione |
| Molecular Weight: | 271.77 |
| Molecular Formula: | C11 H14 Cl N3 O S |
| Smiles: | CC1(C)NC(N(c2cc(ccc2OC)[Cl])N1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.7804 |
| logD: | 2.7803 |
| logSw: | -3.5274 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 33.707 |
| InChI Key: | BBZCNMJIKHGGNA-UHFFFAOYSA-N |