propan-2-yl 1-oxo-1H-2-benzothiopyran-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-oxo-1H-2-benzothiopyran-3-carboxylate
propan-2-yl 1-oxo-1H-2-benzothiopyran-3-carboxylate
Compound characteristics
| Compound ID: | 6451-0727 |
| Compound Name: | propan-2-yl 1-oxo-1H-2-benzothiopyran-3-carboxylate |
| Molecular Weight: | 248.3 |
| Molecular Formula: | C13 H12 O3 S |
| Smiles: | CC(C)OC(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2021 |
| logD: | 3.2021 |
| logSw: | -3.5895 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 33.664 |
| InChI Key: | ULRXFROSSPCGDJ-UHFFFAOYSA-N |