3-{[(2,1,3-benzothiadiazol-4-yl)methyl]sulfanyl}-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-{[(2,1,3-benzothiadiazol-4-yl)methyl]sulfanyl}-1lambda~6~-thiolane-1,1-dione
3-{[(2,1,3-benzothiadiazol-4-yl)methyl]sulfanyl}-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | 8019-4272 |
| Compound Name: | 3-{[(2,1,3-benzothiadiazol-4-yl)methyl]sulfanyl}-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 300.42 |
| Molecular Formula: | C11 H12 N2 O2 S3 |
| Smiles: | C1CS(CC1SCc1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2189 |
| logD: | 2.2189 |
| logSw: | -2.231 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.549 |
| InChI Key: | PXVTXSBVQGBKGR-SECBINFHSA-N |