Acetic acid, mercapto-, dodecyl ester
TL;DR: Acetic acid, mercapto-, dodecyl ester (CAS 3746-39-2) is a chemical compound with molecular formula C14H28O2S and molecular weight 260.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2-sulfanylacetate
Also Known As: Lauryl thioglycolate, Dodecyl thioglycolate, Dodecyl mercaptoacetate, dodecyl 2-sulfanylacetate, n-Dodecyl thioglycolate
| Molecular Formula | C14H28O2S |
|---|---|
| Molecular Weight | 260.18 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 260.181 |
| Heavy Atoms | 17 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 3746-39-2 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CS |
| InChIKey | TVMDUMQNXXNGMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, mercapto-, dodecyl ester (CAS 3746-39-2), with molecular formula C14H28O2S and molecular weight 260.18 g/mol. IUPAC: dodecyl 2-sulfanylacetate.
Chemical Property Profile of Acetic acid, mercapto-, dodecyl ester
Property Insights of Acetic acid, mercapto-, dodecyl ester
The XLogP value of 5.9 indicates that Acetic acid, mercapto-, dodecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Acetic acid, mercapto-, dodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, mercapto-, dodecyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, mercapto-, dodecyl ester?
The CAS number of Acetic acid, mercapto-, dodecyl ester is 3746-39-2.
What is the molecular formula of Acetic acid, mercapto-, dodecyl ester?
The molecular formula of Acetic acid, mercapto-, dodecyl ester is C14H28O2S.
What is the molecular weight of Acetic acid, mercapto-, dodecyl ester?
The molecular weight of Acetic acid, mercapto-, dodecyl ester is 260.18 g/mol.
Where can I buy Acetic acid, mercapto-, dodecyl ester?
You can request a quote for Acetic acid, mercapto-, dodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, mercapto-, dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, mercapto-, dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.