2-(methylsulfanyl)ethyl {4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl {4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetate
2-(methylsulfanyl)ethyl {4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetate
Compound characteristics
| Compound ID: | 8009-4337 |
| Compound Name: | 2-(methylsulfanyl)ethyl {4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetate |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C20 H18 O4 S2 |
| Smiles: | CSCCOC(COc1ccc(\C=C2/C(c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.577 |
| logD: | 3.577 |
| logSw: | -3.8219 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 41.352 |
| InChI Key: | IQCSPWCHCSFPNY-UHFFFAOYSA-N |