2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0304 |
| Compound Name: | 2-[2-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 273.35 |
| Molecular Formula: | C15 H15 N O2 S |
| Smiles: | CSc1ccccc1N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4444 |
| logD: | 2.4444 |
| logSw: | -2.7566 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 28.771 |
| InChI Key: | SJBKZMQGQGFZHK-UHFFFAOYSA-N |