5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-thiol
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-thiol
5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-thiol
Compound characteristics
| Compound ID: | 7489-1879 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-thiol |
| Molecular Weight: | 226.68 |
| Molecular Formula: | C9 H7 Cl N2 O S |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc(o1)S |
| Stereo: | ACHIRAL |
| logP: | 2.2777 |
| logD: | -0.8725 |
| logSw: | -2.7553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.2953 |
| InChI Key: | LOBIRZKDPDHUGL-UHFFFAOYSA-N |