2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 3448-1046 |
| Compound Name: | 2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 336.82 |
| Molecular Formula: | C14 H9 Cl N2 O2 S2 |
| Smiles: | C(c1c(cccc1[Cl])[N+]([O-])=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4129 |
| logD: | 5.4129 |
| logSw: | -6.0005 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.129 |
| InChI Key: | ZSEHSQVUEAHDDF-UHFFFAOYSA-N |