Acetic acid, 2-mercapto-, isotridecyl ester
TL;DR: Acetic acid, 2-mercapto-, isotridecyl ester (CAS 57417-85-3) is a chemical compound with molecular formula C15H30O2S and molecular weight 274.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyldodecyl 2-sulfanylacetate
Also Known As: Isotridecyl thioglycolate, Isotridecyl mercaptoacetate, Iso-tridecyl thioglycolate, 11-methyldodecyl 2-sulfanylacetate, Isotridecyl 2-mercaptoacetate
| Molecular Formula | C15H30O2S |
|---|---|
| Molecular Weight | 274.20 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 274.19666 |
| Heavy Atoms | 18 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 57417-85-3 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOC(=O)CS |
| InChIKey | HYBIDFUUNHAJDS-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-mercapto-, isotridecyl ester (CAS 57417-85-3), with molecular formula C15H30O2S and molecular weight 274.20 g/mol. IUPAC: 11-methyldodecyl 2-sulfanylacetate.
Chemical Property Profile of Acetic acid, 2-mercapto-, isotridecyl ester
Property Insights of Acetic acid, 2-mercapto-, isotridecyl ester
The XLogP value of 6.3 indicates that Acetic acid, 2-mercapto-, isotridecyl 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, 2-mercapto-, isotridecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-mercapto-, isotridecyl 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, 2-mercapto-, isotridecyl ester?
The CAS number of Acetic acid, 2-mercapto-, isotridecyl ester is 57417-85-3.
What is the molecular formula of Acetic acid, 2-mercapto-, isotridecyl ester?
The molecular formula of Acetic acid, 2-mercapto-, isotridecyl ester is C15H30O2S.
What is the molecular weight of Acetic acid, 2-mercapto-, isotridecyl ester?
The molecular weight of Acetic acid, 2-mercapto-, isotridecyl ester is 274.20 g/mol.
Where can I buy Acetic acid, 2-mercapto-, isotridecyl ester?
You can request a quote for Acetic acid, 2-mercapto-, isotridecyl 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, 2-mercapto-, isotridecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-mercapto-, isotridecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.