2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8012-4992 |
| Compound Name: | 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 356.34 |
| Molecular Formula: | C14 H7 F3 N2 O2 S2 |
| Smiles: | c1ccc2c(c1)nc(Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.958 |
| logD: | 5.958 |
| logSw: | -6.3496 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.129 |
| InChI Key: | SEGPVSGEMQVJSQ-UHFFFAOYSA-N |