5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9896 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 235.26 |
| Molecular Formula: | C10 H9 N3 O2 S |
| Smiles: | Cn1c(c2ccc3c(c2)OCO3)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.6644 |
| logD: | 1.0339 |
| logSw: | -1.9235 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.911 |
| InChI Key: | LZMYGUFGSQKVLM-UHFFFAOYSA-N |