6-(benzylsulfanyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Chemical Structure Depiction of
6-(benzylsulfanyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
6-(benzylsulfanyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Compound characteristics
| Compound ID: | 7218-1487 |
| Compound Name: | 6-(benzylsulfanyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile |
| Molecular Weight: | 290.4 |
| Molecular Formula: | C14 H14 N2 O S2 |
| Smiles: | CC1(C)NC(C(C#N)=C(SCc2ccccc2)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1456 |
| logD: | 3.1454 |
| logSw: | -3.3518 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.152 |
| InChI Key: | JWTUKGYUKOPURQ-UHFFFAOYSA-N |