2-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole
2-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 4358-6246 |
| Compound Name: | 2-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 366.43 |
| Molecular Formula: | C14 H10 N2 O4 S3 |
| Smiles: | CS(c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.01 |
| logD: | 4.01 |
| logSw: | -4.2426 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.878 |
| InChI Key: | WEKHSHMCROYTRB-UHFFFAOYSA-N |