S-Octyl ethanethioate
TL;DR: S-Octyl ethanethioate (CAS 2432-84-0) is a chemical compound with molecular formula C10H20OS and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-octyl ethanethioate
Also Known As: S-Octyl ethanethioate, octyl thioacetate, S-octyl thioacetate, 1-acetylthiooctane, S-n-Octyl thioacetate
| Molecular Formula | C10H20OS |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.12349 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 2432-84-0 |
|---|---|
| SMILES | CCCCCCCCSC(=O)C |
| InChIKey | NQMNVUDCUZKJRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Octyl ethanethioate (CAS 2432-84-0), with molecular formula C10H20OS and molecular weight 188.12 g/mol. IUPAC: S-octyl ethanethioate.
Chemical Property Profile of S-Octyl ethanethioate
Property Insights of S-Octyl ethanethioate
The XLogP value of 4.1 indicates that S-Octyl ethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-Octyl ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Octyl ethanethioate 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 S-Octyl ethanethioate?
The CAS number of S-Octyl ethanethioate is 2432-84-0.
What is the molecular formula of S-Octyl ethanethioate?
The molecular formula of S-Octyl ethanethioate is C10H20OS.
What is the molecular weight of S-Octyl ethanethioate?
The molecular weight of S-Octyl ethanethioate is 188.12 g/mol.
Where can I buy S-Octyl ethanethioate?
You can request a quote for S-Octyl ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Octyl ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-Octyl ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.