![2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid structure](/static/products/3498/349-83-7.webp)
2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid
TL;DR: 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid (CAS 349-83-7) is a chemical compound with molecular formula C9H7F3O2S and molecular weight 236.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]sulfanylacetic acid
Also Known As: Maybridge3_000580, 2-((3-(Trifluoromethyl)phenyl)thio)acetic acid, 2-{[3-(Trifluoromethyl)Phenyl]Sulfanyl}Acetic Acid, Trifluoromethylphenylthioaceticacid, 2-[3-(trifluoromethyl)phenyl]sulfanylacetic acid
| Molecular Formula | C9H7F3O2S |
|---|---|
| Molecular Weight | 236.01 g/mol |
| LogP | 2.8821 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.01189 |
| Heavy Atoms | 15 |
| Complexity | 362.62024 |
Chemical Identifiers
| CAS Number | 349-83-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SCC(=O)O)C(F)(F)F |
Product Overview
2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid (CAS 349-83-7), with molecular formula C9H7F3O2S and molecular weight 236.01 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]sulfanylacetic acid.
Chemical Property Profile of 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid
Property Insights of 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid
The XLogP value of 2.8821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid has 1 hydrogen bond donor(s) and 2 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-[[3-(Trifluoromethyl)phenyl]thio]acetic acid?
The CAS number of 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid is 349-83-7.
What is the molecular formula of 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid?
The molecular formula of 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid is C9H7F3O2S.
What is the molecular weight of 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid?
The molecular weight of 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid is 236.01 g/mol.
Where can I buy 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid?
You can request a quote for 2-[[3-(Trifluoromethyl)phenyl]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 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-(Trifluoromethyl)phenyl]thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.