2-({2-[(4-chlorophenyl)methanesulfinyl]ethyl}sulfanyl)-1,3-benzothiazole
Chemical Structure Depiction of
2-({2-[(4-chlorophenyl)methanesulfinyl]ethyl}sulfanyl)-1,3-benzothiazole
2-({2-[(4-chlorophenyl)methanesulfinyl]ethyl}sulfanyl)-1,3-benzothiazole
Compound characteristics
| Compound ID: | 4379-0588 |
| Compound Name: | 2-({2-[(4-chlorophenyl)methanesulfinyl]ethyl}sulfanyl)-1,3-benzothiazole |
| Molecular Weight: | 367.94 |
| Molecular Formula: | C16 H14 Cl N O S3 |
| Smiles: | C(CS(Cc1ccc(cc1)[Cl])=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2654 |
| logD: | 4.2654 |
| logSw: | -4.5893 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 24.0924 |
| InChI Key: | XXBDPVOFZWCDIT-UHFFFAOYSA-N |