Methylphenyl(4-thiomethylphenyl)sulphonium triflate
TL;DR: Methylphenyl(4-thiomethylphenyl)sulphonium triflate (CAS 1029635-42-4) is a chemical compound with molecular formula C15H15F3O3S3 and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[methyl-(4-methylsulfanylphenyl)-phenyl-λ4-sulfanyl] trifluoromethanesulfonate
Also Known As: [methyl-(4-methylsulfanylphenyl)-phenyl-|Methylphenyl(4-thiomethylphenyl)sulphonium triflate|Methyl(4-(methylthio)phenyl)(phenyl)-l4-sulfaneyl trifluoromethanesulfonate|[4-(methylsulfanyl)phenyl](phenyl)methyl-$l^{4}-sulfanyl trifluoromethanesulfonate
| Molecular Formula | C15H15F3O3S3 |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 5.0421 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.01355 |
| Heavy Atoms | 24 |
| Complexity | 790.20917 |
Chemical Identifiers
| CAS Number | 1029635-42-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)S(C)(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F |
Product Overview
Methylphenyl(4-thiomethylphenyl)sulphonium triflate (CAS 1029635-42-4), with molecular formula C15H15F3O3S3 and molecular weight 396.01 g/mol. IUPAC: [methyl-(4-methylsulfanylphenyl)-phenyl-λ4-sulfanyl] trifluoromethanesulfonate.
Chemical Property Profile of Methylphenyl(4-thiomethylphenyl)sulphonium triflate
Property Insights of Methylphenyl(4-thiomethylphenyl)sulphonium triflate
The XLogP value of 5.0421 indicates that Methylphenyl(4-thiomethylphenyl)sulphonium triflate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Methylphenyl(4-thiomethylphenyl)sulphonium triflate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylphenyl(4-thiomethylphenyl)sulphonium triflate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylphenyl(4-thiomethylphenyl)sulphonium triflate?
The CAS number of Methylphenyl(4-thiomethylphenyl)sulphonium triflate is 1029635-42-4.
What is the molecular formula of Methylphenyl(4-thiomethylphenyl)sulphonium triflate?
The molecular formula of Methylphenyl(4-thiomethylphenyl)sulphonium triflate is C15H15F3O3S3.
What is the molecular weight of Methylphenyl(4-thiomethylphenyl)sulphonium triflate?
The molecular weight of Methylphenyl(4-thiomethylphenyl)sulphonium triflate is 396.01 g/mol.
Where can I buy Methylphenyl(4-thiomethylphenyl)sulphonium triflate?
You can request a quote for Methylphenyl(4-thiomethylphenyl)sulphonium triflate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylphenyl(4-thiomethylphenyl)sulphonium triflate?
Yes, KEHONG BIO provides custom synthesis services for Methylphenyl(4-thiomethylphenyl)sulphonium triflate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.