methyl ({5-[(2-cyanoethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[(2-cyanoethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetate
methyl ({5-[(2-cyanoethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 8008-8813 |
| Compound Name: | methyl ({5-[(2-cyanoethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetate |
| Molecular Weight: | 323.49 |
| Molecular Formula: | C9 H9 N O2 S5 |
| Smiles: | COC(CSC1=C(SCCC#N)SC(=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7499 |
| logD: | 2.7499 |
| logSw: | -2.7475 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 38.867 |
| InChI Key: | WGHARMQFONOWOV-UHFFFAOYSA-N |