5,5-diethyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione
Chemical Structure Depiction of
5,5-diethyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione
5,5-diethyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione
Compound characteristics
| Compound ID: | 8009-8337 |
| Compound Name: | 5,5-diethyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione |
| Molecular Weight: | 249.38 |
| Molecular Formula: | C13 H19 N3 S |
| Smiles: | CCC1(CC)NC(N(c2ccc(C)cc2)N1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5736 |
| logD: | 3.5735 |
| logSw: | -3.5801 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 28.8051 |
| InChI Key: | JHSBBGCQTBTCKK-UHFFFAOYSA-N |