2-(methylsulfanyl)-6-nitro-1,3-benzoxazole
Chemical Structure Depiction of
2-(methylsulfanyl)-6-nitro-1,3-benzoxazole
2-(methylsulfanyl)-6-nitro-1,3-benzoxazole
Compound characteristics
| Compound ID: | 0165-0453 |
| Compound Name: | 2-(methylsulfanyl)-6-nitro-1,3-benzoxazole |
| Molecular Weight: | 210.21 |
| Molecular Formula: | C8 H6 N2 O3 S |
| Smiles: | CSc1nc2ccc(cc2o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6542 |
| logD: | 2.6542 |
| logSw: | -2.9916 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.283 |
| InChI Key: | SMPNPJSWVLTCKE-UHFFFAOYSA-N |