5-(3,4-dimethoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3,4-dimethoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5442-3209 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 251.3 |
| Molecular Formula: | C11 H13 N3 O2 S |
| Smiles: | CN1C(c2ccc(c(c2)OC)OC)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 1.7732 |
| logD: | 1.2655 |
| logSw: | -2.2887 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.883 |
| InChI Key: | JLQMWNZTYYWAPS-UHFFFAOYSA-N |