TL;DR: 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane (CAS 19721-74-5) is a chemical compound with molecular formula C4H6Cl4O2S and molecular weight 257.88425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dichloro-1-(1,2-dichloroethylsulfonyl)ethane
Also Known As: Bis(1,2-dichloroethyl)sulfone, Bis(1,2-dichloroethyl) sulfone, Sulfone, bis(1,2-dichloroethyl), 1,2-dichloro-1-(1,2-dichloroethylsulfonyl)ethane, 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane
| Molecular Formula | C4H6Cl4O2S |
| Molecular Weight | 257.88425 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.88132 Da |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
| SMILES | C(C(S(=O)(=O)C(CCl)Cl)Cl)Cl |
| InChIKey | QTJJOZORJHAYSE-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane. With a topological polar surface area (TPSA) of 42.5 Ų, 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane 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 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane is 19721-74-5.
The molecular formula of 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane is C4H6Cl4O2S.
The molecular weight of 1,2-Dichloro-1-(1,2-dichloroethanesulfonyl)ethane is 257.88425 g/mol.
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