6-(butylsulfanyl)-2-(hydroxymethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Chemical Structure Depiction of
6-(butylsulfanyl)-2-(hydroxymethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
6-(butylsulfanyl)-2-(hydroxymethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
Compound characteristics
| Compound ID: | 7218-1421 |
| Compound Name: | 6-(butylsulfanyl)-2-(hydroxymethyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile |
| Molecular Weight: | 258.36 |
| Molecular Formula: | C10 H14 N2 O2 S2 |
| Smiles: | CCCCSC1=C(C#N)C(NC(CO)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9273 |
| logD: | 1.9271 |
| logSw: | -2.1761 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.355 |
| InChI Key: | ABADAMWKQXHURG-QMMMGPOBSA-N |