TL;DR: Ammonium, N,N-dimethyl-N,N',N',N'-tetraethyl-N,N'-thiodiethylenedi-, dibromide (CAS 63977-25-3) is a chemical compound with molecular formula C14H34Br2N2S and molecular weight 420.08096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfanyl]ethyl]azanium dibromide
Also Known As: AMMONIUM, N,N-DIMETHYL-N,N',N',N'-TETRAETHYL-N,N'-THIODIETHYLENEDI-, DIBROMIDE, Ethanaminium, N-ethyl-N,N-dimethyl-2-[[2-(trimethylammonio)ethyl]thio]-, dibromide, N,N,N-Triethyl-2-({2-[ethyl(dimethyl)azaniumyl]ethyl}sulfanyl)ethan-1-aminium dibromide, N,N,N-Triethyl-2-({2-[ethyldi(methyl)azaniumyl]ethyl}sulfanyl)ethan-1-aminium dibromide, triethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethylsulfanyl]ethyl]azanium dibromide
| Molecular Formula | C14H34Br2N2S |
| Molecular Weight | 420.08096 g/mol |
| XLogP | -3.3 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.0789 Da |
| Heavy Atoms | 19 |
| Complexity | 180.0 |
| SMILES | CC[N+](C)(C)CCSCC[N+](CC)(CC)CC.[Br-].[Br-] |
| InChIKey | XQAGDGDPAAJQSI-UHFFFAOYSA-L |
The XLogP value of -3.3 indicates that Ammonium, N,N-dimethyl-N,N',N',N'-tetraethyl-N,N'-thiodiethylenedi-, dibromide 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-dimethyl-N,N',N',N'-tetraethyl-N,N'-thiodiethylenedi-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, N,N-dimethyl-N,N',N',N'-tetraethyl-N,N'-thiodiethylenedi-, dibromide 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-dimethyl-N,N',N',N'-tetraethyl-N,N'-thiodiethylenedi-, dibromide is 63977-25-3.
The molecular formula of Ammonium, N,N-dimethyl-N,N',N',N'-tetraethyl-N,N'-thiodiethylenedi-, dibromide is C14H34Br2N2S.
The molecular weight of Ammonium, N,N-dimethyl-N,N',N',N'-tetraethyl-N,N'-thiodiethylenedi-, dibromide is 420.08096 g/mol.
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