1-(1,3-benzothiazol-2-yl)ethan-1-one
Chemical Structure Depiction of
1-(1,3-benzothiazol-2-yl)ethan-1-one
1-(1,3-benzothiazol-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 0133-0049 |
| Compound Name: | 1-(1,3-benzothiazol-2-yl)ethan-1-one |
| Molecular Weight: | 177.22 |
| Molecular Formula: | C9 H7 N O S |
| Smiles: | CC(c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2888 |
| logD: | 2.2888 |
| logSw: | -2.4548 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.7856 |
| InChI Key: | GSTOPVGJHLPSBJ-UHFFFAOYSA-N |