TL;DR: Disulfide, bis(2-chlorohexyl) (CAS 70776-27-1) is a chemical compound with molecular formula C12H24Cl2S2 and molecular weight 302.06964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-1-(2-chlorohexyldisulfanyl)hexane
Also Known As: Bis persulfide, Disulfide, bis(2-chlorohexyl), Bis(2-chlorohexyl) disulfide, Bis(2-chlorohexyl) persulfide, 2-chloro-1-(2-chlorohexyldisulfanyl)hexane
| Molecular Formula | C12H24Cl2S2 |
| Molecular Weight | 302.06964 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 302.06964 Da |
| Heavy Atoms | 16 |
| Complexity | 129.0 |
| SMILES | CCCCC(CSSCC(CCCC)Cl)Cl |
| InChIKey | OHACEGHLVXOPHO-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that Disulfide, bis(2-chlorohexyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Disulfide, bis(2-chlorohexyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Disulfide, bis(2-chlorohexyl) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Disulfide, bis(2-chlorohexyl) is 70776-27-1.
The molecular formula of Disulfide, bis(2-chlorohexyl) is C12H24Cl2S2.
The molecular weight of Disulfide, bis(2-chlorohexyl) is 302.06964 g/mol.
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