dimethyl 2-[1-chloro-2-(3-methylanilino)-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-chloro-2-(3-methylanilino)-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-chloro-2-(3-methylanilino)-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8019-6362 |
| Compound Name: | dimethyl 2-[1-chloro-2-(3-methylanilino)-2-sulfanylideneethylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 415.93 |
| Molecular Formula: | C16 H14 Cl N O4 S3 |
| Smiles: | Cc1cccc(c1)NC(C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 4.9202 |
| logD: | 4.9187 |
| logSw: | -4.9158 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.626 |
| InChI Key: | QQJKVPSPDFALRW-UHFFFAOYSA-N |