N-[1-cyano-2,2-bis(ethylsulfanyl)ethenyl]-4-methylbenzamide
Chemical Structure Depiction of
N-[1-cyano-2,2-bis(ethylsulfanyl)ethenyl]-4-methylbenzamide
N-[1-cyano-2,2-bis(ethylsulfanyl)ethenyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | Y070-0688 |
| Compound Name: | N-[1-cyano-2,2-bis(ethylsulfanyl)ethenyl]-4-methylbenzamide |
| Molecular Weight: | 306.45 |
| Molecular Formula: | C15 H18 N2 O S2 |
| Smiles: | CCSC(=C(C#N)NC(c1ccc(C)cc1)=O)SCC |
| Stereo: | ACHIRAL |
| logP: | 4.0235 |
| logD: | 4.023 |
| logSw: | -3.927 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.162 |
| InChI Key: | IBTKQVVBWSHWNH-UHFFFAOYSA-N |