4,6-dinitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
Chemical Structure Depiction of
4,6-dinitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
4,6-dinitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8008-3524 |
| Compound Name: | 4,6-dinitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione |
| Molecular Weight: | 257.18 |
| Molecular Formula: | C7 H3 N3 O6 S |
| Smiles: | c1c(cc2c(C(NS2=O)=O)c1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6265 |
| logD: | -5.1535 |
| logSw: | -2.3296 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.778 |
| InChI Key: | CQKODUPOUASLHK-UHFFFAOYSA-N |