TL;DR: Bis(2-chloroethylsulfonylmethyl)-ether (CAS 53061-10-2) is a chemical compound with molecular formula C6H12Cl2O5S2 and molecular weight 297.95032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-(2-chloroethylsulfonylmethoxymethylsulfonyl)ethane
Also Known As: Bis ether, Bis(2-chloroethylsulfonylmethyl)ether, Bis(2-chloroethylsulfonylmethyl)-ether, Bis(2-chloroethylsulphonylmethyl) ether, ethane, 1,1'-[oxybis(methylenesulfonyl)]bis[2-chloro-
| Molecular Formula | C6H12Cl2O5S2 |
| Molecular Weight | 297.95032 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 297.95032 Da |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
| SMILES | C(CCl)S(=O)(=O)COCS(=O)(=O)CCCl |
| InChIKey | PEPHICBDUBUZCC-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethylsulfonylmethyl)-ether. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-chloroethylsulfonylmethyl)-ether. Following Lipinski's Rule of Five, Bis(2-chloroethylsulfonylmethyl)-ether has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bis(2-chloroethylsulfonylmethyl)-ether is 53061-10-2.
The molecular formula of Bis(2-chloroethylsulfonylmethyl)-ether is C6H12Cl2O5S2.
The molecular weight of Bis(2-chloroethylsulfonylmethyl)-ether is 297.95032 g/mol.
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