3'-phenyl-2H,4H-spiro[[1]benzothiopyran-3,2'-oxiran]-4-one
Chemical Structure Depiction of
3'-phenyl-2H,4H-spiro[[1]benzothiopyran-3,2'-oxiran]-4-one
3'-phenyl-2H,4H-spiro[[1]benzothiopyran-3,2'-oxiran]-4-one
Compound characteristics
| Compound ID: | 0659-0045 |
| Compound Name: | 3'-phenyl-2H,4H-spiro[[1]benzothiopyran-3,2'-oxiran]-4-one |
| Molecular Weight: | 268.33 |
| Molecular Formula: | C16 H12 O2 S |
| Smiles: | C1C2(C(c3ccccc3)O2)C(c2ccccc2S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6585 |
| logD: | 3.6585 |
| logSw: | -4.0946 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 20.93 |
| InChI Key: | JPFYXLCKPJMWSF-UHFFFAOYSA-N |