7-hydroxy-2-oxo-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
7-hydroxy-2-oxo-2H-1-benzopyran-3-carbothioamide
7-hydroxy-2-oxo-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | C201-0127 |
| Compound Name: | 7-hydroxy-2-oxo-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 221.23 |
| Molecular Formula: | C10 H7 N O3 S |
| Smiles: | C1=C(C(=O)Oc2cc(ccc12)O)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 0.9216 |
| logD: | 0.8487 |
| logSw: | -1.9518 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.23 |
| InChI Key: | QRYYSXMCHMIEIJ-UHFFFAOYSA-N |