2-巯基乙酸壬酯
TL;DR: 2-巯基乙酸壬酯 (CAS 3746-40-5) is a chemical compound with molecular formula C11H22O2S and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-巯基乙酸壬酯
nonyl 2-sulfanylacetate
Also Known As: Nonyl mercaptoacetate, nonyl 2-sulfanylacetate, nonylmercaptoacetate, nonyl sulfanylacetate, Acetic acid, mercapto-, nonyl ester
| Molecular Formula | C11H22O2S |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.13405 |
| Heavy Atoms | 14 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 3746-40-5 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)CS |
| InChIKey | YRIQTCODFIJDKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-巯基乙酸壬酯 (CAS 3746-40-5), with molecular formula C11H22O2S and molecular weight 218.13 g/mol. IUPAC: nonyl 2-sulfanylacetate.
Chemical Property Profile of 2-巯基乙酸壬酯
Property Insights of 2-巯基乙酸壬酯
The XLogP value of 4.3 indicates that 2-巯基乙酸壬酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 2-巯基乙酸壬酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-巯基乙酸壬酯 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 2-巯基乙酸壬酯?
The CAS number of 2-巯基乙酸壬酯 is 3746-40-5.
What is the molecular formula of 2-巯基乙酸壬酯?
The molecular formula of 2-巯基乙酸壬酯 is C11H22O2S.
What is the molecular weight of 2-巯基乙酸壬酯?
The molecular weight of 2-巯基乙酸壬酯 is 218.13 g/mol.
Where can I buy 2-巯基乙酸壬酯?
You can request a quote for 2-巯基乙酸壬酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-巯基乙酸壬酯?
Yes, KEHONG BIO provides custom synthesis services for 2-巯基乙酸壬酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.