6-nitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
Chemical Structure Depiction of
6-nitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
6-nitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8012-4871 |
| Compound Name: | 6-nitro-1H-1lambda~4~,2-benzothiazole-1,3(2H)-dione |
| Molecular Weight: | 212.18 |
| Molecular Formula: | C7 H4 N2 O4 S |
| Smiles: | c1cc2C(NS(c2cc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0088 |
| logD: | -1.0758 |
| logSw: | -2.4747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.698 |
| InChI Key: | PFICMYVUDGTAEP-UHFFFAOYSA-N |