4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid

Base Information

• Chemical Name: 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
• CAS No.: 116492-99-0
• Molecular Formula: C14H8 F3 N O2 S2
• Molecular Weight: 343.34
• DSSTox Substance ID: DTXSID80384835
• Wikidata: Q82177214
• Mol file: 116492-99-0.mol

Synonyms:116492-99-0;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-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]-;4-Cyano-5-(methylthio)-3-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylic acid;Maybridge1_004437;HMS554B15;DTXSID80384835;FT-0642838;W-204901;4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2carboxylic acid

Chemical Property of 4-Cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2E-08mmHg at 25°C
• Refractive Index: 1.62
• Boiling Point: 437.5°Cat760mmHg
• Flash Point: 218.4°C
• PSA: 114.63000
• Density: 1.54g/cm³
• LogP: 4.72568
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 342.99485533
• Heavy Atom Count: 22
• Complexity: 476

Purity/Quality:

98%min ^*data from raw suppliers

4-CYANO-5-(METHYLTHIO)-3-[3-(TRIFLUOROMETHYL)PHENYL]THIOPHENE-2-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C(=C(S1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F)C#N