2-{[2-(benzylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[2-(benzylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole
2-{[2-(benzylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 4379-0584 |
| Compound Name: | 2-{[2-(benzylsulfanyl)ethyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 317.49 |
| Molecular Formula: | C16 H15 N S3 |
| Smiles: | C(CSc1nc2ccccc2s1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2608 |
| logD: | 5.2608 |
| logSw: | -5.585 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 9.0483 |
| InChI Key: | MUXMAROSDNEEMM-UHFFFAOYSA-N |