4-[3-(methylsulfanyl)anilino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[3-(methylsulfanyl)anilino]-4-oxobut-2-enoic acid
4-[3-(methylsulfanyl)anilino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K783-3259 |
| Compound Name: | 4-[3-(methylsulfanyl)anilino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 237.27 |
| Molecular Formula: | C11 H11 N O3 S |
| Smiles: | CSc1cccc(c1)NC(\C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9949 |
| logD: | -2.4634 |
| logSw: | -2.6715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | GRTHEGPBJDWTID-UHFFFAOYSA-N |