4-methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-3579 |
| Compound Name: | 4-methyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 235.3 |
| Molecular Formula: | C11 H13 N3 O S |
| Smiles: | Cc1ccc(cc1)OCc1nnc(n1C)S |
| Stereo: | ACHIRAL |
| logP: | 1.5853 |
| logD: | 1.1609 |
| logSw: | -1.5952 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.271 |
| InChI Key: | UJGSEVWOQOHWGU-UHFFFAOYSA-N |