TL;DR: Triethylamine, 2,2'-thiobis(2'',2'''-dichloro-, dihydrochloride (CAS 63978-58-5) is a chemical compound with molecular formula C6H11Cl2NS and molecular weight 198.99893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-4-ethylthiomorpholine
Also Known As: 2,6-dichloro-4-ethylthiomorpholine, TL 1109, Thiomorpholine, 2,6-dichloro-4-ethyl-, Triethylamine, 2,2'-thiobis(2'',2'''-dichloro-, dihydrochloride, Sulfide, bis(2-(bis(2-chloroethyl)amino)ethyl) dihydrochloride
| Molecular Formula | C6H11Cl2NS |
| Molecular Weight | 198.99893 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.99893 Da |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
| SMILES | CCN1CC(SC(C1)Cl)Cl |
| InChIKey | XHFQDVMIVZJFMV-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethylamine, 2,2'-thiobis(2'',2'''-dichloro-, dihydrochloride. With a topological polar surface area (TPSA) of 28.5 Ų, Triethylamine, 2,2'-thiobis(2'',2'''-dichloro-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylamine, 2,2'-thiobis(2'',2'''-dichloro-, dihydrochloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Triethylamine, 2,2'-thiobis(2'',2'''-dichloro-, dihydrochloride is 63978-58-5.
The molecular formula of Triethylamine, 2,2'-thiobis(2'',2'''-dichloro-, dihydrochloride is C6H11Cl2NS.
The molecular weight of Triethylamine, 2,2'-thiobis(2'',2'''-dichloro-, dihydrochloride is 198.99893 g/mol.
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