5-(3-isothiocyanatophenyl)-1,3,4-oxadiazole-2-thiol
Chemical Structure Depiction of
5-(3-isothiocyanatophenyl)-1,3,4-oxadiazole-2-thiol
5-(3-isothiocyanatophenyl)-1,3,4-oxadiazole-2-thiol
Compound characteristics
| Compound ID: | 0823-0417 |
| Compound Name: | 5-(3-isothiocyanatophenyl)-1,3,4-oxadiazole-2-thiol |
| Molecular Weight: | 235.28 |
| Molecular Formula: | C9 H5 N3 O S2 |
| Smiles: | C(=Nc1cccc(c1)c1nnc(o1)S)=S |
| Stereo: | ACHIRAL |
| logP: | 3.1104 |
| logD: | -0.3349 |
| logSw: | -3.2307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.34 |
| InChI Key: | AQESHBVXNYHGFM-UHFFFAOYSA-N |