dimethyl 2-(1-chloro-2-phenoxy-2-sulfanylideneethylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-(1-chloro-2-phenoxy-2-sulfanylideneethylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(1-chloro-2-phenoxy-2-sulfanylideneethylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8019-6358 |
| Compound Name: | dimethyl 2-(1-chloro-2-phenoxy-2-sulfanylideneethylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 402.89 |
| Molecular Formula: | C15 H11 Cl O5 S3 |
| Smiles: | COC(C1=C(C(=O)OC)SC(=C(C(Oc2ccccc2)=S)[Cl])S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6711 |
| logD: | 4.6711 |
| logSw: | -4.8798 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 49.365 |
| InChI Key: | XGTFATJRXPMAAU-UHFFFAOYSA-N |