4-methyl-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-methyl-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-methyl-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9008 |
| Compound Name: | 4-methyl-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 255.34 |
| Molecular Formula: | C14 H13 N3 S |
| Smiles: | Cn1c(Cc2cccc3ccccc23)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.5613 |
| logD: | 2.1369 |
| logSw: | -2.7747 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.5006 |
| InChI Key: | ZMUBDNAIQCGGOU-UHFFFAOYSA-N |