2-(Trifluoromethylthio)phenylacetic acid
TL;DR: 2-(Trifluoromethylthio)phenylacetic acid (CAS 239080-01-4) 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-[2-(trifluoromethylsulfanyl)phenyl]acetic acid
Also Known As: 2-(TRIFLUOROMETHYLTHIO)PHENYLACETIC ACID, RARECHEM AL BO 0860, 2-{2-[(trifluoromethyl)sulfanyl]phenyl}acetic acid, 2-[2-(trifluoromethylsulfanyl)phenyl]acetic Acid, 2-(2-((Trifluoromethyl)thio)phenyl)acetic acid
| Molecular Formula | C9H7F3O2S |
|---|---|
| Molecular Weight | 236.01 g/mol |
| LogP | 2.9256 |
| 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 | 239080-01-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)SC(F)(F)F |
Product Overview
2-(Trifluoromethylthio)phenylacetic acid (CAS 239080-01-4), with molecular formula C9H7F3O2S and molecular weight 236.01 g/mol. IUPAC: 2-[2-(trifluoromethylsulfanyl)phenyl]acetic acid.
Chemical Property Profile of 2-(Trifluoromethylthio)phenylacetic acid
Property Insights of 2-(Trifluoromethylthio)phenylacetic acid
The XLogP value of 2.9256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethylthio)phenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Trifluoromethylthio)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethylthio)phenylacetic 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-(Trifluoromethylthio)phenylacetic acid?
The CAS number of 2-(Trifluoromethylthio)phenylacetic acid is 239080-01-4.
What is the molecular formula of 2-(Trifluoromethylthio)phenylacetic acid?
The molecular formula of 2-(Trifluoromethylthio)phenylacetic acid is C9H7F3O2S.
What is the molecular weight of 2-(Trifluoromethylthio)phenylacetic acid?
The molecular weight of 2-(Trifluoromethylthio)phenylacetic acid is 236.01 g/mol.
Where can I buy 2-(Trifluoromethylthio)phenylacetic acid?
You can request a quote for 2-(Trifluoromethylthio)phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethylthio)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethylthio)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.