Octanesulfonic acid, thio-, S-methyl ester
TL;DR: Octanesulfonic acid, thio-, S-methyl ester (CAS 7559-46-8) is a chemical compound with molecular formula C9H20O2S2 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylsulfonyloctane
Also Known As: S-Methyl octanethiosulfonate, 1-methylsulfanylsulfonyloctane, S-Methyl 1-octanesulfonothioate, S-Methyl octane-1-sulfonothioate, OCTANESULFONIC ACID, THIO-, S-METHYL ESTER
| Molecular Formula | C9H20O2S2 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.09047 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 7559-46-8 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)SC |
| InChIKey | FFFFGWGAXPYMFC-UHFFFAOYSA-N |
Product Overview
Octanesulfonic acid, thio-, S-methyl ester (CAS 7559-46-8), with molecular formula C9H20O2S2 and molecular weight 224.09 g/mol. IUPAC: 1-methylsulfanylsulfonyloctane.
Chemical Property Profile of Octanesulfonic acid, thio-, S-methyl ester
Property Insights of Octanesulfonic acid, thio-, S-methyl ester
The XLogP value of 3.5 indicates that Octanesulfonic acid, thio-, S-methyl ester 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 Octanesulfonic acid, thio-, S-methyl ester. Following Lipinski's Rule of Five, Octanesulfonic acid, thio-, S-methyl ester 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 Octanesulfonic acid, thio-, S-methyl ester?
The CAS number of Octanesulfonic acid, thio-, S-methyl ester is 7559-46-8.
What is the molecular formula of Octanesulfonic acid, thio-, S-methyl ester?
The molecular formula of Octanesulfonic acid, thio-, S-methyl ester is C9H20O2S2.
What is the molecular weight of Octanesulfonic acid, thio-, S-methyl ester?
The molecular weight of Octanesulfonic acid, thio-, S-methyl ester is 224.09 g/mol.
Where can I buy Octanesulfonic acid, thio-, S-methyl ester?
You can request a quote for Octanesulfonic acid, thio-, S-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanesulfonic acid, thio-, S-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanesulfonic acid, thio-, S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.