TL;DR: Bis(p-chlorobenzyl) sulphide (CAS 23566-23-6) is a chemical compound with molecular formula C14H12Cl2S and molecular weight 282.00366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-[(4-chlorophenyl)methylsulfanylmethyl]benzene
Also Known As: Bis(p-chlorobenzyl) sulphide, Bis(4-chlorobenzyl) sulfide, Bis(p-chlorobenzyl) sulfide, 4-Chlorophenylmethyl sulfide, di-(4-chlorobenzyl) sulfide
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H12Cl2S |
| Molecular Weight | 282.00366 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.00366 Da |
| Heavy Atoms | 17 |
| Complexity | 184.0 |
| SMILES | C1=CC(=CC=C1CSCC2=CC=C(C=C2)Cl)Cl |
| InChIKey | ITVKOVQVBCQQGY-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Bis(p-chlorobenzyl) sulphide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Bis(p-chlorobenzyl) sulphide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(p-chlorobenzyl) sulphide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bis(p-chlorobenzyl) sulphide is 23566-23-6.
The molecular formula of Bis(p-chlorobenzyl) sulphide is C14H12Cl2S.
The molecular weight of Bis(p-chlorobenzyl) sulphide is 282.00366 g/mol.
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