Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-
TL;DR: Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- (CAS 16174-88-2) is a chemical compound with molecular formula C14H9F3O2S and molecular weight 298.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid
Also Known As: 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid, 2-((3-(Trifluoromethyl)phenyl)thio)benzoic acid, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-(9CI), o-((alpha,alpha,alpha-Trifluoro-m-tolyl)thio)benzoic acid
| Molecular Formula | C14H9F3O2S |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.02753 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 16174-88-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | JFNWLZMHYFDRNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- (CAS 16174-88-2), with molecular formula C14H9F3O2S and molecular weight 298.03 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-
Property Insights of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-
The XLogP value of 5.2 indicates that Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- 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 Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-?
The CAS number of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- is 16174-88-2.
What is the molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-?
The molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- is C14H9F3O2S.
What is the molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-?
The molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- is 298.03 g/mol.
Where can I buy Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-?
You can request a quote for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.