1,1'-{[2,5-bis(methylsulfanyl)thiophene-3,4-diyl]bis(methylene)}di(pyridin-1-ium)--iodide (1/2)
Chemical Structure Depiction of
1,1'-{[2,5-bis(methylsulfanyl)thiophene-3,4-diyl]bis(methylene)}di(pyridin-1-ium)--iodide (1/2)
1,1'-{[2,5-bis(methylsulfanyl)thiophene-3,4-diyl]bis(methylene)}di(pyridin-1-ium)--iodide (1/2)
Compound characteristics
| Compound ID: | 8004-2426 |
| Compound Name: | 1,1'-{[2,5-bis(methylsulfanyl)thiophene-3,4-diyl]bis(methylene)}di(pyridin-1-ium)--iodide (1/2) |
| Molecular Weight: | 614.37 |
| Molecular Formula: | C18 H20 N2 S3 |
| Salt: | 2I- |
| Smiles: | CSc1c(C[n+]2ccccc2)c(C[n+]2ccccc2)c(SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2803 |
| logD: | 4.2803 |
| logSw: | -4.2551 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 6.842 |
| InChI Key: | YQYAEFFYYXVDDD-UHFFFAOYSA-N |