TL;DR: 1,1'-Biphenyl, 2,2',3,3',4',6-hexachloro-5-(methylsulfonyl)- (CAS 149949-90-6) is a chemical compound with molecular formula C13H6Cl6O2S and molecular weight 435.82196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4-trichloro-5-methylsulfonyl-3-(2,3,4-trichlorophenyl)benzene
Also Known As: 1,1'-Biphenyl, 2,2',3,3',4',6-hexachloro-5-(methylsulfonyl)-, 3-Methylsulfonyl-2,2',3',4',5,6-hexachlorobiphenyl, 1,2,4-trichloro-5-methylsulfonyl-3-(2,3,4-trichlorophenyl)benzene, 2,2',3,3',4',6-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl, 5'-O-(Fructofuranosyl-2-1-fructofuranosyl)pyridoxine
| Molecular Formula | C13H6Cl6O2S |
| Molecular Weight | 435.82196 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.81903 Da |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl |
| InChIKey | QZNNUEQAOMHGJC-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 1,1'-Biphenyl, 2,2',3,3',4',6-hexachloro-5-(methylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1,1'-Biphenyl, 2,2',3,3',4',6-hexachloro-5-(methylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 2,2',3,3',4',6-hexachloro-5-(methylsulfonyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1'-Biphenyl, 2,2',3,3',4',6-hexachloro-5-(methylsulfonyl)- is 149949-90-6.
The molecular formula of 1,1'-Biphenyl, 2,2',3,3',4',6-hexachloro-5-(methylsulfonyl)- is C13H6Cl6O2S.
The molecular weight of 1,1'-Biphenyl, 2,2',3,3',4',6-hexachloro-5-(methylsulfonyl)- is 435.82196 g/mol.
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