![{[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid structure](/static/products/2204/220459-58-5.webp)
{[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid
TL;DR: {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid (CAS 220459-58-5) is a chemical compound with molecular formula C8H6F3NO2S and molecular weight 237.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid
Also Known As: {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid, 2-{[3-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid, 5N-537S, 2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylacetic Acid, {[3-(Trifluoromethyl)pyridin-2-yl]thio}
| Molecular Formula | C8H6F3NO2S |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | 2.2771 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.00714 |
| Heavy Atoms | 15 |
| Complexity | 367.14957 |
Chemical Identifiers
| CAS Number | 220459-58-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC(=O)O)C(F)(F)F |
Product Overview
{[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid (CAS 220459-58-5), with molecular formula C8H6F3NO2S and molecular weight 237.01 g/mol. IUPAC: 2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid
Property Insights of {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid
The XLogP value of 2.2771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid. With a topological polar surface area (TPSA) of 50.19 Ų, {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid 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 {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid?
The CAS number of {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid is 220459-58-5.
What is the molecular formula of {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid?
The molecular formula of {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid is C8H6F3NO2S.
What is the molecular weight of {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid?
The molecular weight of {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid is 237.01 g/mol.
Where can I buy {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid?
You can request a quote for {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[3-(Trifluoromethyl)pyridin-2-yl]thio}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.