S-butyl diphenylmethanesulfonothioate
TL;DR: S-butyl diphenylmethanesulfonothioate (CAS 110155-89-0) is a chemical compound with molecular formula C17H20O2S2 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[butylsulfanylsulfonyl(phenyl)methyl]benzene
Also Known As: S-butyl diphenylmethanesulfonothioate, [butylsulfanylsulfonyl(phenyl)methyl]benzene, S-Butyl alpha-phenylbenzenemethanesulfonothioate, S-Butyl I+/--phenylbenzenemethanesulfonothioate
| Molecular Formula | C17H20O2S2 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.09048 |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 110155-89-0 |
|---|---|
| SMILES | CCCCSS(=O)(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | QFKROJXAHRRPAE-UHFFFAOYSA-N |
Product Overview
S-butyl diphenylmethanesulfonothioate (CAS 110155-89-0), with molecular formula C17H20O2S2 and molecular weight 320.09 g/mol. IUPAC: [butylsulfanylsulfonyl(phenyl)methyl]benzene.
Chemical Property Profile of S-butyl diphenylmethanesulfonothioate
Property Insights of S-butyl diphenylmethanesulfonothioate
The XLogP value of 4.5 indicates that S-butyl 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-butyl diphenylmethanesulfonothioate. Following Lipinski's Rule of Five, S-butyl 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-butyl diphenylmethanesulfonothioate?
The CAS number of S-butyl diphenylmethanesulfonothioate is 110155-89-0.
What is the molecular formula of S-butyl diphenylmethanesulfonothioate?
The molecular formula of S-butyl diphenylmethanesulfonothioate is C17H20O2S2.
What is the molecular weight of S-butyl diphenylmethanesulfonothioate?
The molecular weight of S-butyl diphenylmethanesulfonothioate is 320.09 g/mol.
Where can I buy S-butyl diphenylmethanesulfonothioate?
You can request a quote for S-butyl diphenylmethanesulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl diphenylmethanesulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl diphenylmethanesulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.