4-methyl-4H-1,2,4-triazol-3-yl N-(4-methylphenyl)-2-oxopropanehydrazonothioate
Chemical Structure Depiction of
4-methyl-4H-1,2,4-triazol-3-yl N-(4-methylphenyl)-2-oxopropanehydrazonothioate
4-methyl-4H-1,2,4-triazol-3-yl N-(4-methylphenyl)-2-oxopropanehydrazonothioate
Compound characteristics
| Compound ID: | 8012-3959 |
| Compound Name: | 4-methyl-4H-1,2,4-triazol-3-yl N-(4-methylphenyl)-2-oxopropanehydrazonothioate |
| Molecular Weight: | 289.36 |
| Molecular Formula: | C13 H15 N5 O S |
| Smiles: | CC(\C(=N/Nc1ccc(C)cc1)Sc1nncn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0116 |
| logD: | 2.0116 |
| logSw: | -2.5089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.98 |
| InChI Key: | VLQKBQAJLIVXJZ-UHFFFAOYSA-N |