TL;DR: Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-thiodiethylenedi-, diiodide (CAS 63977-40-2) is a chemical compound with molecular formula C12H30I2N2S and molecular weight 488.0219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]azanium diiodide
Also Known As: AMMONIUM, N,N-DIETHYL-N,N',N',N'-TETRAMETHYL-N,N'-THIODIETHYLENEDI-, DIIODIDE, 2-({2-[Diethyl(methyl)azaniumyl]ethyl}sulfanyl)-N,N,N-trimethylethan-1-aminium diiodide, diethyl-methyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]azanium diiodide, Ethanaminium, 2-[[2-(diethylmethylammonio)ethyl]thio]-N,N,N-trimethyl-, diiodide
| Molecular Formula | C12H30I2N2S |
| Molecular Weight | 488.0219 g/mol |
| XLogP | -4.08 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.0219 Da |
| Heavy Atoms | 17 |
| Complexity | 159.0 |
| SMILES | CC[N+](C)(CC)CCSCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | XZFPDUXSUDETHM-UHFFFAOYSA-L |
The XLogP value of -4.08 indicates that Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-thiodiethylenedi-, 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, Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-thiodiethylenedi-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-thiodiethylenedi-, diiodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-thiodiethylenedi-, diiodide is 63977-40-2.
The molecular formula of Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-thiodiethylenedi-, diiodide is C12H30I2N2S.
The molecular weight of Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N,N'-thiodiethylenedi-, diiodide is 488.0219 g/mol.
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