2-[(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)sulfanyl]-1,3-benzothiazole
Chemical Structure Depiction of
2-[(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)sulfanyl]-1,3-benzothiazole
2-[(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)sulfanyl]-1,3-benzothiazole
Compound characteristics
| Compound ID: | 4379-0587 |
| Compound Name: | 2-[(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)sulfanyl]-1,3-benzothiazole |
| Molecular Weight: | 351.94 |
| Molecular Formula: | C16 H14 Cl N S3 |
| Smiles: | C(CSc1nc2ccccc2s1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8556 |
| logD: | 5.8556 |
| logSw: | -6.3107 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 9.0483 |
| InChI Key: | HVALLBKKGPFTTQ-UHFFFAOYSA-N |