2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid
TL;DR: 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid (CAS 883291-47-2) is a chemical compound with molecular formula C9H6ClF3O2S and molecular weight 269.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanylacetic acid
Also Known As: ZERO/006155, {[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}acetic acid, 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid, 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanylacetic acid, 2-[[2-Chloro-4-(trifluoromethyl)phenyl]thio]acetic acid
| Molecular Formula | C9H6ClF3O2S |
|---|---|
| Molecular Weight | 269.97 g/mol |
| LogP | 3.5355 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.9729 |
| Heavy Atoms | 16 |
| Complexity | 406.23083 |
Chemical Identifiers
| CAS Number | 883291-47-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)SCC(=O)O |
Product Overview
2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid (CAS 883291-47-2), with molecular formula C9H6ClF3O2S and molecular weight 269.97 g/mol. IUPAC: 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfanylacetic acid.
Chemical Property Profile of 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid
Property Insights of 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid
The XLogP value of 3.5355 indicates that 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Chloro-4-(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-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid?
The CAS number of 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid is 883291-47-2.
What is the molecular formula of 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid?
The molecular formula of 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid is C9H6ClF3O2S.
What is the molecular weight of 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid?
The molecular weight of 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid is 269.97 g/mol.
Where can I buy 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid?
You can request a quote for 2-((2-Chloro-4-(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-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Chloro-4-(trifluoromethyl)phenyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.