![4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid structure](/static/products/1164/116492-99-0.webp)
4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
TL;DR: 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid (CAS 116492-99-0) is a chemical compound with molecular formula C14H8F3NO2S2 and molecular weight 342.99484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
Also Known As: Maybridge1_004437, 1-Boc-IsonipecoticAcidHydrazide, 4-cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid, 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid, 2-Thiophenecarboxylicacid, 4-cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]-
Technical Specifications
| Molecular Formula | C14H8F3NO2S2 |
| Molecular Weight | 342.99484 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.99484 Da |
| Heavy Atoms | 22 |
| Complexity | 476.0 |
| SMILES | CSC1=C(C(=C(S1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F)C#N |
| InChIKey | PDGBICZPQGIXQC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
Property Insights of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
The XLogP value of 4.5 indicates that 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The CAS number of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid is 116492-99-0.
What is the molecular formula of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The molecular formula of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid is C14H8F3NO2S2.
What is the molecular weight of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The molecular weight of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid is 342.99484 g/mol.
Where can I buy 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
You can request a quote for 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.