2-(Dodecylthio)acetic acid
TL;DR: 2-(Dodecylthio)acetic acid (CAS 13753-71-4) 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.
2-dodecylsulfanylacetic acid
Also Known As: Dodecylthioacetic acid, Acetic acid, (dodecylthio)-, (Dodecylthio)acetic acid, 2-dodecylsulfanylacetic acid, dodecylthioglycolic acid
| Molecular Formula | C14H28O2S |
|---|---|
| Molecular Weight | 260.18 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 62.6 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 | 13753-71-4 |
|---|---|
| SMILES | CCCCCCCCCCCCSCC(=O)O |
| InChIKey | LZQSKUQISWIZQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dodecylthio)acetic acid (CAS 13753-71-4), with molecular formula C14H28O2S and molecular weight 260.18 g/mol. IUPAC: 2-dodecylsulfanylacetic acid.
Chemical Property Profile of 2-(Dodecylthio)acetic acid
Property Insights of 2-(Dodecylthio)acetic acid
The XLogP value of 6.1 indicates that 2-(Dodecylthio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dodecylthio)acetic acid. Following Lipinski's Rule of Five, 2-(Dodecylthio)acetic acid 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 2-(Dodecylthio)acetic acid?
The CAS number of 2-(Dodecylthio)acetic acid is 13753-71-4.
What is the molecular formula of 2-(Dodecylthio)acetic acid?
The molecular formula of 2-(Dodecylthio)acetic acid is C14H28O2S.
What is the molecular weight of 2-(Dodecylthio)acetic acid?
The molecular weight of 2-(Dodecylthio)acetic acid is 260.18 g/mol.
Where can I buy 2-(Dodecylthio)acetic acid?
You can request a quote for 2-(Dodecylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dodecylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dodecylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.