TL;DR: Sulfone, 2-(bis(2-chloroethyl)amino)ethyl vinyl (CAS 63978-55-2) is a chemical compound with molecular formula C8H15Cl2NO2S and molecular weight 259.02005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-2-ethenylsulfonylethanamine
Also Known As: Tri-n-butylamine, hydrochloride, 2-(Bis(2-chloroethyl)amino)ethyl vinyl sulfone, Sulfone, 2-(bis(2-chloroethyl)amino)ethyl vinyl, 2-[Bis(2-chloroethyl)amino]ethylvinyl sulfone, Vinyl(beta-bis(beta-chloroethyl)amino)ethyl sulfone
| Molecular Formula | C8H15Cl2NO2S |
| Molecular Weight | 259.02005 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 259.02005 Da |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
| SMILES | C=CS(=O)(=O)CCN(CCCl)CCCl |
| InChIKey | ILSOXKMICJIDOD-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfone, 2-(bis(2-chloroethyl)amino)ethyl vinyl. With a topological polar surface area (TPSA) of 45.8 Ų, Sulfone, 2-(bis(2-chloroethyl)amino)ethyl vinyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfone, 2-(bis(2-chloroethyl)amino)ethyl vinyl 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 Sulfone, 2-(bis(2-chloroethyl)amino)ethyl vinyl is 63978-55-2.
The molecular formula of Sulfone, 2-(bis(2-chloroethyl)amino)ethyl vinyl is C8H15Cl2NO2S.
The molecular weight of Sulfone, 2-(bis(2-chloroethyl)amino)ethyl vinyl is 259.02005 g/mol.
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