6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Chemical Structure Depiction of
6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Compound characteristics
| Compound ID: | 7218-1581 |
| Compound Name: | 6-(benzylsulfanyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile |
| Molecular Weight: | 262.35 |
| Molecular Formula: | C12 H10 N2 O S2 |
| Smiles: | C(c1ccccc1)SC1=C(C#N)C(NCS1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2384 |
| logD: | 2.2383 |
| logSw: | -2.4798 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.051 |
| InChI Key: | SGDMIWVCZHFBKC-UHFFFAOYSA-N |