6-[2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-3,4-dihydropyrimidine-2(1H)-thione
Chemical Structure Depiction of
6-[2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-3,4-dihydropyrimidine-2(1H)-thione
6-[2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-3,4-dihydropyrimidine-2(1H)-thione
Compound characteristics
| Compound ID: | C352-0005 |
| Compound Name: | 6-[2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-3,4-dihydropyrimidine-2(1H)-thione |
| Molecular Weight: | 313.25 |
| Molecular Formula: | C14 H14 Cl2 N2 S |
| Smiles: | CC1(C)C=C(/C=C/c2c(cccc2[Cl])[Cl])NC(N1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.965 |
| logD: | 3.965 |
| logSw: | -4.1485 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 22.6161 |
| InChI Key: | LJNVCUHBCQXHLW-UHFFFAOYSA-N |