TL;DR: Ammonium, thiodiethylenebis(triethyl-, dibromide (CAS 63951-40-6) is a chemical compound with molecular formula C16H38Br2N2S and molecular weight 448.11224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triethyl-[2-[2-(triethylazaniumyl)ethylsulfanyl]ethyl]azanium dibromide
Also Known As: AMMONIUM, THIODIETHYLENEBIS(TRIETHYL-, DIBROMIDE, Ethanaminium, 2,2'-thiobis[N,N,N-triethyl-, dibromide, triethyl-[2-[2-(triethylazaniumyl)ethylsulfanyl]ethyl]azanium dibromide, N,N,N-Triethyl-2-{[2-(triethylazaniumyl)ethyl]sulfanyl}ethan-1-aminium dibromide
| Molecular Formula | C16H38Br2N2S |
| Molecular Weight | 448.11224 g/mol |
| XLogP | -2.52 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 450.1102 Da |
| Heavy Atoms | 21 |
| Complexity | 172.0 |
| SMILES | CC[N+](CC)(CC)CCSCC[N+](CC)(CC)CC.[Br-].[Br-] |
| InChIKey | SFMSZTNDIWQOND-UHFFFAOYSA-L |
The XLogP value of -2.52 indicates that Ammonium, thiodiethylenebis(triethyl-, 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, thiodiethylenebis(triethyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, thiodiethylenebis(triethyl-, 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, thiodiethylenebis(triethyl-, dibromide is 63951-40-6.
The molecular formula of Ammonium, thiodiethylenebis(triethyl-, dibromide is C16H38Br2N2S.
The molecular weight of Ammonium, thiodiethylenebis(triethyl-, dibromide is 448.11224 g/mol.
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