1-[2-({5-[(2-methoxy-2-oxoethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)ethyl]pyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-[2-({5-[(2-methoxy-2-oxoethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)ethyl]pyridin-1-ium--iodide (1/1)
1-[2-({5-[(2-methoxy-2-oxoethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)ethyl]pyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4454-0024 |
| Compound Name: | 1-[2-({5-[(2-methoxy-2-oxoethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)ethyl]pyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 503.48 |
| Molecular Formula: | C13 H14 N O2 S5 |
| Salt: | I- |
| Smiles: | COC(CSC1=C(SCC[n+]2ccccc2)SC(=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4386 |
| logD: | 3.4386 |
| logSw: | -3.5874 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 24.1464 |
| InChI Key: | XHTJJGIZKDNAEB-UHFFFAOYSA-N |