Octanethioic acid, S-methyl ester
TL;DR: Octanethioic acid, S-methyl ester (CAS 2432-83-9) is a chemical compound with molecular formula C9H18OS and molecular weight 174.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl octanethioate
Also Known As: S-Methyl octanethioate, S-methyl thiocaprylate, S-Methyl thiooctanoate, Octanethioic acid, S-methyl ester, S-methyl octane thioate
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 2432-83-9 |
|---|---|
| SMILES | CCCCCCCC(=O)SC |
| InChIKey | UKPKZMMTLNIPKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanethioic acid, S-methyl ester (CAS 2432-83-9), with molecular formula C9H18OS and molecular weight 174.11 g/mol. IUPAC: S-methyl octanethioate.
Chemical Property Profile of Octanethioic acid, S-methyl ester
Property Insights of Octanethioic acid, S-methyl ester
The XLogP value of 3.9 indicates that Octanethioic acid, S-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Octanethioic acid, S-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanethioic acid, S-methyl ester has 0 hydrogen bond donor(s) and 2 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 Octanethioic acid, S-methyl ester?
The CAS number of Octanethioic acid, S-methyl ester is 2432-83-9.
What is the molecular formula of Octanethioic acid, S-methyl ester?
The molecular formula of Octanethioic acid, S-methyl ester is C9H18OS.
What is the molecular weight of Octanethioic acid, S-methyl ester?
The molecular weight of Octanethioic acid, S-methyl ester is 174.11 g/mol.
Where can I buy Octanethioic acid, S-methyl ester?
You can request a quote for Octanethioic acid, 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 Octanethioic acid, S-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanethioic acid, S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.