dimethyl 2,2'-[(4-cyano-1,3-phenylene)bis(sulfanediyl)]diacetate
Chemical Structure Depiction of
dimethyl 2,2'-[(4-cyano-1,3-phenylene)bis(sulfanediyl)]diacetate
dimethyl 2,2'-[(4-cyano-1,3-phenylene)bis(sulfanediyl)]diacetate
Compound characteristics
| Compound ID: | 8012-3471 |
| Compound Name: | dimethyl 2,2'-[(4-cyano-1,3-phenylene)bis(sulfanediyl)]diacetate |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C13 H13 N O4 S2 |
| Smiles: | COC(CSc1ccc(C#N)c(c1)SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9494 |
| logD: | 1.9494 |
| logSw: | -2.685 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.452 |
| InChI Key: | VXNYDOWOXFFSOQ-UHFFFAOYSA-N |