2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole
Chemical Structure Depiction of
2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole
2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8012-4177 |
| Compound Name: | 2-[(5-nitropyridin-2-yl)sulfanyl]-1,3-benzothiazole |
| Molecular Weight: | 289.33 |
| Molecular Formula: | C12 H7 N3 O2 S2 |
| Smiles: | c1ccc2c(c1)nc(Sc1ccc(cn1)[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1331 |
| logD: | 4.1331 |
| logSw: | -4.4112 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.928 |
| InChI Key: | PBCTUBOKJZTANL-UHFFFAOYSA-N |