Octyl mercaptoacetate
TL;DR: Octyl mercaptoacetate (CAS 7664-80-4) is a chemical compound with molecular formula C10H20O2S and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-sulfanylacetate
Also Known As: Octyl thioglycolate, n-Octyl Thioglycolate, octyl 2-sulfanylacetate, Octyl 2-mercaptoacetate, Octyl mercaptoacetate
| Molecular Formula | C10H20O2S |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 204.11841 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 7664-80-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CS |
| InChIKey | MADOXCFISYCULS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl mercaptoacetate (CAS 7664-80-4), with molecular formula C10H20O2S and molecular weight 204.12 g/mol. IUPAC: octyl 2-sulfanylacetate.
Chemical Property Profile of Octyl mercaptoacetate
Property Insights of Octyl mercaptoacetate
The XLogP value of 3.7 indicates that Octyl mercaptoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Octyl mercaptoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl mercaptoacetate has 1 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 Octyl mercaptoacetate?
The CAS number of Octyl mercaptoacetate is 7664-80-4.
What is the molecular formula of Octyl mercaptoacetate?
The molecular formula of Octyl mercaptoacetate is C10H20O2S.
What is the molecular weight of Octyl mercaptoacetate?
The molecular weight of Octyl mercaptoacetate is 204.12 g/mol.
Where can I buy Octyl mercaptoacetate?
You can request a quote for Octyl mercaptoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl mercaptoacetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl mercaptoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.