S-Phenyl diphenylmethanesulfonothioate
TL;DR: S-Phenyl diphenylmethanesulfonothioate (CAS 541-07-1) is a chemical compound with molecular formula C19H16O2S2 and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[phenyl(phenylsulfanylsulfonyl)methyl]benzene
Also Known As: S-Phenyl diphenylmethanesulfonothioate, [phenyl(phenylsulfanylsulfonyl)methyl]benzene, diphenyl-methanethiosulfonic acid S-phenyl ester, S-Phenyl alpha-phenylbenzenemethanesulfonothioate, Methanesulfonic acid, diphenylthio-, S-phenyl ester
| Molecular Formula | C19H16O2S2 |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.05917 |
| Heavy Atoms | 23 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 541-07-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)(=O)SC3=CC=CC=C3 |
| InChIKey | YFTDQHDZZPFMEM-UHFFFAOYSA-N |
Product Overview
S-Phenyl diphenylmethanesulfonothioate (CAS 541-07-1), with molecular formula C19H16O2S2 and molecular weight 340.06 g/mol. IUPAC: [phenyl(phenylsulfanylsulfonyl)methyl]benzene.
Chemical Property Profile of S-Phenyl diphenylmethanesulfonothioate
Property Insights of S-Phenyl diphenylmethanesulfonothioate
The XLogP value of 4.8 indicates that S-Phenyl diphenylmethanesulfonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Phenyl diphenylmethanesulfonothioate. Following Lipinski's Rule of Five, S-Phenyl diphenylmethanesulfonothioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Phenyl diphenylmethanesulfonothioate?
The CAS number of S-Phenyl diphenylmethanesulfonothioate is 541-07-1.
What is the molecular formula of S-Phenyl diphenylmethanesulfonothioate?
The molecular formula of S-Phenyl diphenylmethanesulfonothioate is C19H16O2S2.
What is the molecular weight of S-Phenyl diphenylmethanesulfonothioate?
The molecular weight of S-Phenyl diphenylmethanesulfonothioate is 340.06 g/mol.
Where can I buy S-Phenyl diphenylmethanesulfonothioate?
You can request a quote for S-Phenyl diphenylmethanesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Phenyl diphenylmethanesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Phenyl diphenylmethanesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.