2-oxo-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
2-oxo-2H-1-benzopyran-3-carbothioamide
2-oxo-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | 0236-0027 |
| Compound Name: | 2-oxo-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 205.23 |
| Molecular Formula: | C10 H7 N O2 S |
| Smiles: | C1=C(C(=O)Oc2ccccc12)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 1.3532 |
| logD: | 1.3532 |
| logSw: | -1.8612 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.613 |
| InChI Key: | NNHJYDSWYAVKNK-UHFFFAOYSA-N |