3-(3-Chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 3-(3-Chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid
• CAS No.: 116493-00-6
• Molecular Formula: C13H8 Cl N O2 S2
• Molecular Weight: 309.79
• DSSTox Substance ID: DTXSID80384830
• Wikidata: Q82177209
• Mol file: 116493-00-6.mol

Synonyms:116493-00-6;3-(3-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid;3-(3-chlorophenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylic acid;2-Thiophenecarboxylic acid, 3-(3-chlorophenyl)-4-cyano-5-(methylthio)-;Maybridge1_004561;HMS554H07;SCHEMBL10652831;DTXSID80384830;LWQYECDLWRDJLA-UHFFFAOYSA-N;CCG-252573;FT-0744450;W-204902;3-(3-chlorophenyl)-4-cyano-5-(methylsulfanyl)thiophene-2-carboxylic acid;3-(3-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid, AldrichCPR

Chemical Property of 3-(3-Chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.77E-09mmHg at 25°C
• Melting Point: 209 °C
• Refractive Index: 1.699
• Boiling Point: 460.7°Cat760mmHg
• Flash Point: 232.4°C
• PSA: 114.63000
• Density: 1.53g/cm³
• LogP: 4.36028
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 308.9684985
• Heavy Atom Count: 19
• Complexity: 397

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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