4-Cyano-3-(4-methoxyphenyl)-5-(methylthio)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 4-Cyano-3-(4-methoxyphenyl)-5-(methylthio)thiophene-2-carboxylic acid
• CAS No.: 116493-07-3
• Molecular Formula: C14H11 N O3 S2
• Molecular Weight: 305.37
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50370987
• Wikidata: Q82158189
• Mol file: 116493-07-3.mol

Synonyms:116493-07-3;4-Cyano-3-(4-methoxyphenyl)-5-(methylthio)thiophene-2-carboxylic acid;4-cyano-3-(4-methoxyphenyl)-5-methylsulfanylthiophene-2-carboxylic acid;4-cyano-3-(4-methoxyphenyl)-5-(methylsulfanyl)thiophene-2-carboxylic acid;Maybridge1_004695;HMS554N09;DTXSID50370987;CGHMBDXBFGRSNF-UHFFFAOYSA-N;MFCD00277044;AS-9284;KM 02613;CS-0329460;FT-0618284;A803627;W-204903;4-cyano-3-(4-methoxyphenyl)-5-(methylthio)-2-thiophenecarboxylic acid;4-Cyano-3-(4-methoxyphenyl)-5-(methylthio)-thiophene-2-carboxylic acid;4-Cyano-3-(4-methoxyphenyl)-5-(methylthio)thiophene-2carboxylic acid;4-cyano-3-(4-methoxyphenyl)-5-methylsulfanyl-thiophene-2-carboxylic acid

Chemical Property of 4-Cyano-3-(4-methoxyphenyl)-5-(methylthio)thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.93E-09mmHg at 25°C
• Melting Point: 209 °C
• Refractive Index: 1.67
• Boiling Point: 464.9°C at 760 mmHg
• Flash Point: 234.9°C
• PSA: 123.86000
• Density: 1.43g/cm³
• LogP: 3.71548
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 305.01803556
• Heavy Atom Count: 20
• Complexity: 401

Purity/Quality:

98%min ^*data from raw suppliers

4-Cyano-3-(4-methoxyphenyl)-5-(methylthio)thiophene-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C(=O)O