6-Mercaptopyridine-3,4-dicarboxylic acid

Base Information

• Chemical Name: 6-Mercaptopyridine-3,4-dicarboxylic acid
• CAS No.: 219652-62-7
• Molecular Formula: C7H5 N O4 S
• Molecular Weight: 199.18
• DSSTox Substance ID: DTXSID90376261
• Wikidata: Q82165149
• Mol file: 219652-62-7.mol

Synonyms:219652-62-7;6-MERCAPTOPYRIDINE-3,4-DICARBOXYLIC ACID;6-sulfanylidene-1H-pyridine-3,4-dicarboxylic Acid;1,6-Dihydro-6-thioxo-3,4-pyridinedicarboxylic acid;DTXSID90376261;AKOS006285367;FT-0607002;6-SULFANYLPYRIDINE-3,4-DICARBOXYLIC ACID;6-thioxo-1,6-dihydropyridine-3,4-dicarboxylic acid

Chemical Property of 6-Mercaptopyridine-3,4-dicarboxylic acid

Chemical Property:

• Vapor Pressure: 0.000812mmHg at 25°C
• Refractive Index: 1.73
• Boiling Point: 283.7°Cat760mmHg
• Flash Point: 125.4°C
• PSA: 126.29000
• Density: 1.73g/cm³
• LogP: 0.76670
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 198.99392881
• Heavy Atom Count: 13
• Complexity: 356

Purity/Quality:

97% ^*data from raw suppliers

6-MERCAPTOPYRIDINE-3,4-DICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CNC1=S)C(=O)O)C(=O)O

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