2-{[4-(methanesulfonyl)-2,6-dinitrophenyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[4-(methanesulfonyl)-2,6-dinitrophenyl]sulfanyl}-1,3-benzothiazole
2-{[4-(methanesulfonyl)-2,6-dinitrophenyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 4358-6244 |
| Compound Name: | 2-{[4-(methanesulfonyl)-2,6-dinitrophenyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C14 H9 N3 O6 S3 |
| Smiles: | CS(c1cc(c(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6006 |
| logD: | 3.6006 |
| logSw: | -3.9609 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 104.958 |
| InChI Key: | LANOCIVHYZLHRY-UHFFFAOYSA-N |