6-chloro-2-oxo-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
6-chloro-2-oxo-2H-1-benzopyran-3-carbothioamide
6-chloro-2-oxo-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | C201-0395 |
| Compound Name: | 6-chloro-2-oxo-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 239.68 |
| Molecular Formula: | C10 H6 Cl N O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 1.965 |
| logD: | 1.965 |
| logSw: | -2.7734 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.613 |
| InChI Key: | OTEGYNLPBREDIV-UHFFFAOYSA-N |