5-[(carboxymethyl)sulfanyl]-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium--iodide (1/1)
Chemical Structure Depiction of
5-[(carboxymethyl)sulfanyl]-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium--iodide (1/1)
5-[(carboxymethyl)sulfanyl]-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8012-7289 |
| Compound Name: | 5-[(carboxymethyl)sulfanyl]-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium--iodide (1/1) |
| Molecular Weight: | 417.35 |
| Molecular Formula: | C11 H16 N O2 S3 |
| Salt: | I- |
| Smiles: | CC1=C(SCC(O)=O)[S+]=C(N2CCCCC2)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.9186 |
| logD: | 0.2422 |
| logSw: | -2.8429 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.987 |
| InChI Key: | LZFWRDXZYXDYQY-UHFFFAOYSA-O |