S-heptyl 2-oxo-2H-1-benzopyran-3-carbothioate
Chemical Structure Depiction of
S-heptyl 2-oxo-2H-1-benzopyran-3-carbothioate
S-heptyl 2-oxo-2H-1-benzopyran-3-carbothioate
Compound characteristics
| Compound ID: | 0672-0389 |
| Compound Name: | S-heptyl 2-oxo-2H-1-benzopyran-3-carbothioate |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C17 H20 O3 S |
| Smiles: | CCCCCCCSC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2641 |
| logD: | 5.2641 |
| logSw: | -5.1136 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.432 |
| InChI Key: | MJQUDUSNAMYUPR-UHFFFAOYSA-N |