1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-
TL;DR: 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- (CAS 66640-49-1) is a chemical compound with molecular formula C13H7Cl5S and molecular weight 369.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-4-(2,5-dichloro-4-methylsulfanylphenyl)benzene
Also Known As: 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-, 2,2',3,4,5'-Pentachloro-4'-(methylsulfanyl)-1,1'-biphenyl, 1,2,3-trichloro-4-(2,5-dichloro-4-methylsulfanylphenyl)benzene, 1,4-dichloro-2-methylsulfanyl-5-(2,3,4-trichlorophenyl)benzene
| Molecular Formula | C13H7Cl5S |
|---|---|
| Molecular Weight | 369.87 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.87112 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 66640-49-1 |
|---|---|
| SMILES | CSC1=C(C=C(C(=C1)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl |
| InChIKey | ZZHXAQSVVFBNQA-UHFFFAOYSA-N |
Product Overview
1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- (CAS 66640-49-1), with molecular formula C13H7Cl5S and molecular weight 369.87 g/mol. IUPAC: 1,2,3-trichloro-4-(2,5-dichloro-4-methylsulfanylphenyl)benzene.
Chemical Property Profile of 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-
Property Insights of 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-
The XLogP value of 7.1 indicates that 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-?
The CAS number of 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- is 66640-49-1.
What is the molecular formula of 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-?
The molecular formula of 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- is C13H7Cl5S.
What is the molecular weight of 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-?
The molecular weight of 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- is 369.87 g/mol.
Where can I buy 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-?
You can request a quote for 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Biphenyl, 2,2',3,4,5'-pentachloro-4'-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.