TL;DR: Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide (CAS 111588-22-8) is a chemical compound with molecular formula C18H38I2N2S and molecular weight 568.08453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-1-[2-[2-(1-ethylpiperidin-1-ium-1-yl)ethylsulfanyl]ethyl]piperidin-1-ium diiodide
Also Known As: 1,1'-(Thiodiethylene)bis(1-ethylpiperidinium iodide), Diethojodid 1,5-bis-piperidino-3-thiapentanu, Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide, Diethojodid 1,5-bis-piperidino-3-thiapentanu [Czech], 1,1'-[Sulfanediyldi(ethane-2,1-diyl)]bis(1-ethylpiperidin-1-ium) diiodide
| Molecular Formula | C18H38I2N2S |
| Molecular Weight | 568.08453 g/mol |
| XLogP | -2.2312 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 568.08453 Da |
| Heavy Atoms | 23 |
| Complexity | 253.0 |
| SMILES | CC[N+]1(CCCCC1)CCSCC[N+]2(CCCCC2)CC.[I-].[I-] |
| InChIKey | POEILNXDYZGAJA-UHFFFAOYSA-L |
The XLogP value of -2.2312 indicates that Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.3 Ų, Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide is 111588-22-8.
The molecular formula of Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide is C18H38I2N2S.
The molecular weight of Piperidinium, 1,1'-(thiodiethylene)bis(1-ethyl-, diiodide is 568.08453 g/mol.
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