ethyl 4-amino-3-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-3-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
ethyl 4-amino-3-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | K286-4364 |
| Compound Name: | ethyl 4-amino-3-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 326.46 |
| Molecular Formula: | C13 H14 N2 O2 S3 |
| Smiles: | CCOC(C1=C(N)N(C(=S)S1)c1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9209 |
| logD: | 2.9209 |
| logSw: | -3.2265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.868 |
| InChI Key: | CKAUIOGJPNJNDP-UHFFFAOYSA-N |