5-(2-Methylthiophen-3-yl)pyridine-3-carboxylic acid

Base Information

• Chemical Name: 5-(2-Methylthiophen-3-yl)pyridine-3-carboxylic acid
• CAS No.: 1261964-02-6
• Molecular Formula: C13H11NO2S
• Molecular Weight: 245.29694
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10703252
• Wikidata: Q82635361
• Mol file: 1261964-02-6.mol

Synonyms:DTXSID10703252;5-(2-methylthiophen-3-yl)pyridine-3-carboxylic acid

Chemical Property of 5-(2-Methylthiophen-3-yl)pyridine-3-carboxylic acid

Chemical Property:

• Boiling Point: 466.1±40.0 °C(Predicted)
• PKA: 2.06±0.10(Predicted)
• PSA: 75.49000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 3.16870
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.03539970
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

95+% ^*data from raw suppliers

5-(2-(Methylthio)phenyl)nicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CS1)C2=CC(=CN=C2)C(=O)O