3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl
TL;DR: 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl (CAS 104104-34-9) is a chemical compound with molecular formula C13H8Cl4O2S and molecular weight 367.8999 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-dichloro-5-(3,4-dichlorophenyl)-3-methylsulfonylbenzene
Also Known As: 3-Msf-tcb, 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl, 3-Methylsulfonyl-3',4,4',5-tetrachlorobiphenyl, 3-Methylsulfonyl-4,5,3/',4/'-tetrachlorobiphenyl, 1,1'-Biphenyl,3,3',4,4'-tetrachloro-5-(methylsulfonyl)-
Technical Specifications
| Molecular Formula | C13H8Cl4O2S |
| Molecular Weight | 367.8999 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.89697 Da |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
| SMILES | CS(=O)(=O)C1=C(C(=CC(=C1)C2=CC(=C(C=C2)Cl)Cl)Cl)Cl |
| InChIKey | NPOQAWWYZIAGCQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl
Property Insights of 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl
The XLogP value of 5.3 indicates that 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl?
The CAS number of 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl is 104104-34-9.
What is the molecular formula of 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl?
The molecular formula of 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl is C13H8Cl4O2S.
What is the molecular weight of 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl?
The molecular weight of 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl is 367.8999 g/mol.
Where can I buy 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl?
You can request a quote for 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl?
Yes, CoreyChem provides custom synthesis services for 3-Methylsulfonyl-4,5,3',4'-tetrachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.