5-(hexadecylsulfanyl)-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium
Chemical Structure Depiction of
5-(hexadecylsulfanyl)-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium
5-(hexadecylsulfanyl)-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium
Compound characteristics
| Compound ID: | 8012-7291 |
| Compound Name: | 5-(hexadecylsulfanyl)-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium |
| Molecular Weight: | 583.74 |
| Molecular Formula: | C25 H46 N S3 |
| Salt: | I- |
| Smiles: | CCCCCCCCCCCCCCCCSC1=C(C)SC(N2CCCCC2)=[S+]1 |
| Stereo: | ACHIRAL |
| logP: | 11.5293 |
| logD: | 11.5288 |
| logSw: | -6.1224 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 3.6032 |
| InChI Key: | HGIOOBMLLDWRNA-UHFFFAOYSA-N |