TL;DR: Morpholinium, 4,4'-(thiodiethylene)bis(4-methyl-, diiodide (CAS 109043-42-7) is a chemical compound with molecular formula C14H30I2N2O2S and molecular weight 544.0117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-4-[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylsulfanyl]ethyl]morpholin-4-ium diiodide
Also Known As: Dimethojodid 1,5-bis-morfolino-3-thiapentanu, Morpholinium, 4,4'-(thiodiethylene)bis(4-methyl-, diiodide, Dimethojodid 1,5-bis-morfolino-3-thiapentanu [Czech], 4,4'-(Thiodiethylene)bis(4-methylmorpholinium iodide), 4,4'-(Thiodiethylene)bis[4-methylmorpholiniumiodide] (6CI)
| Molecular Formula | C14H30I2N2O2S |
| Molecular Weight | 544.0117 g/mol |
| XLogP | -5.3188 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.0117 Da |
| Heavy Atoms | 21 |
| Complexity | 238.0 |
| SMILES | C[N+]1(CCOCC1)CCSCC[N+]2(CCOCC2)C.[I-].[I-] |
| InChIKey | LMVZVKIHWZTRGW-UHFFFAOYSA-L |
The XLogP value of -5.3188 indicates that Morpholinium, 4,4'-(thiodiethylene)bis(4-methyl-, diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.8 Ų, Morpholinium, 4,4'-(thiodiethylene)bis(4-methyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholinium, 4,4'-(thiodiethylene)bis(4-methyl-, diiodide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Morpholinium, 4,4'-(thiodiethylene)bis(4-methyl-, diiodide is 109043-42-7.
The molecular formula of Morpholinium, 4,4'-(thiodiethylene)bis(4-methyl-, diiodide is C14H30I2N2O2S.
The molecular weight of Morpholinium, 4,4'-(thiodiethylene)bis(4-methyl-, diiodide is 544.0117 g/mol.
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