5-[(2-carboxyethyl)sulfanyl]-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium--bromide (1/1)
Chemical Structure Depiction of
5-[(2-carboxyethyl)sulfanyl]-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium--bromide (1/1)
5-[(2-carboxyethyl)sulfanyl]-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8012-7290 |
| Compound Name: | 5-[(2-carboxyethyl)sulfanyl]-4-methyl-2-(piperidin-1-yl)-1,3-dithiol-1-ium--bromide (1/1) |
| Molecular Weight: | 384.37 |
| Molecular Formula: | C12 H18 N O2 S3 |
| Salt: | Br- |
| Smiles: | CC1=C(SCCC(O)=O)[S+]=C(N2CCCCC2)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1885 |
| logD: | 0.4929 |
| logSw: | -3.0336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.987 |
| InChI Key: | ZYMBVUHXIFHZSV-UHFFFAOYSA-O |