5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazole-2-thiol
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazole-2-thiol
5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazole-2-thiol
Compound characteristics
| Compound ID: | 8019-6437 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,4-oxadiazole-2-thiol |
| Molecular Weight: | 236.25 |
| Molecular Formula: | C10 H8 N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)c1nnc(o1)S |
| Stereo: | ACHIRAL |
| logP: | 1.5997 |
| logD: | -1.5505 |
| logSw: | -1.8574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.411 |
| InChI Key: | JFIWJXUSTARLNY-UHFFFAOYSA-N |