trimethyl 2,2',2''-[(2-cyanobenzene-1,3,5-triyl)tris(sulfanediyl)]triacetate
Chemical Structure Depiction of
trimethyl 2,2',2''-[(2-cyanobenzene-1,3,5-triyl)tris(sulfanediyl)]triacetate
trimethyl 2,2',2''-[(2-cyanobenzene-1,3,5-triyl)tris(sulfanediyl)]triacetate
Compound characteristics
| Compound ID: | 8009-9625 |
| Compound Name: | trimethyl 2,2',2''-[(2-cyanobenzene-1,3,5-triyl)tris(sulfanediyl)]triacetate |
| Molecular Weight: | 415.5 |
| Molecular Formula: | C16 H17 N O6 S3 |
| Smiles: | COC(CSc1cc(c(C#N)c(c1)SCC(=O)OC)SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1209 |
| logD: | 2.1209 |
| logSw: | -2.2569 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 79.031 |
| InChI Key: | HWENCVNKCICZPZ-UHFFFAOYSA-N |