5-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
Chemical Structure Depiction of
5-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
5-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | 7167-1689 |
| Compound Name: | 5-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C13 H6 N4 O2 S3 |
| Smiles: | c1ccc2c(c1)nc(Sc1ccc3c(c1[N+]([O-])=O)nsn3)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.0244 |
| logD: | 5.0244 |
| logSw: | -5.0796 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.781 |
| InChI Key: | FRLQLQULNQMCFU-UHFFFAOYSA-N |