1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-tetrazole-5-thiol
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-tetrazole-5-thiol
1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-tetrazole-5-thiol
Compound characteristics
| Compound ID: | 8018-8729 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-tetrazole-5-thiol |
| Molecular Weight: | 236.25 |
| Molecular Formula: | C9 H8 N4 O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)n1c(nnn1)S |
| Stereo: | ACHIRAL |
| logP: | 1.0322 |
| logD: | 0.0064 |
| logSw: | -1.9185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.613 |
| InChI Key: | WQAOGNQFZVHXAA-UHFFFAOYSA-N |