3-methoxy-4,6-dinitro-1,2-benzothiazole
Chemical Structure Depiction of
3-methoxy-4,6-dinitro-1,2-benzothiazole
3-methoxy-4,6-dinitro-1,2-benzothiazole
Compound characteristics
| Compound ID: | 8009-4645 |
| Compound Name: | 3-methoxy-4,6-dinitro-1,2-benzothiazole |
| Molecular Weight: | 255.21 |
| Molecular Formula: | C8 H5 N3 O5 S |
| Smiles: | COc1c2c(cc(cc2sn1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5731 |
| logD: | 2.5731 |
| logSw: | -2.6765 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.222 |
| InChI Key: | FJCIAQASKYZDMR-UHFFFAOYSA-N |