4,5-dimethyl-2-[4-(methylsulfanyl)phenyl]-3-oxo-1,3lambda~5~-oxazole--hydrogen chloride (1/1)
Chemical Structure Depiction of
4,5-dimethyl-2-[4-(methylsulfanyl)phenyl]-3-oxo-1,3lambda~5~-oxazole--hydrogen chloride (1/1)
4,5-dimethyl-2-[4-(methylsulfanyl)phenyl]-3-oxo-1,3lambda~5~-oxazole--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K780-0491 |
| Compound Name: | 4,5-dimethyl-2-[4-(methylsulfanyl)phenyl]-3-oxo-1,3lambda~5~-oxazole--hydrogen chloride (1/1) |
| Molecular Weight: | 271.76 |
| Molecular Formula: | C12 H13 N O2 S |
| Salt: | HCl |
| Smiles: | Cc1c(C)oc(c2ccc(cc2)SC)[n+]1[O-] |
| Stereo: | ACHIRAL |
| logP: | 3.0791 |
| logD: | 3.0791 |
| logSw: | -3.1116 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.7401 |
| InChI Key: | OKRVFUXKDJEDSE-UHFFFAOYSA-N |