4-Amino-2-mercaptopyrimidine-5-carboxylic acid

Base Information

• Chemical Name: 4-Amino-2-mercaptopyrimidine-5-carboxylic acid
• CAS No.: 875-60-5
• Molecular Formula: C5H5N3O2S
• Molecular Weight: 171.18
• Hs Code.: 2933599090
• European Community (EC) Number: 846-823-6
• DSSTox Substance ID: DTXSID60873570
• Wikidata: Q81981102
• Mol file: 875-60-5.mol

Synonyms:4-amino-2-mercaptopyrimidine-5-carboxylic acid;875-60-5;4-amino-2-sulfanylpyrimidine-5-carboxylic acid;6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid;Pyrimidine-5-carboxylic acid, 4-amino-2-mercapto-;SCHEMBL5659662;DTXSID60873570;CHEBI:189157;DRCCUWZDHQOJQA-UHFFFAOYSA-N;BBL028755;STK037087;AKOS001589575;AKOS002392062;VS-08949;BB 0248370;CS-0315506;EU-0000341;4-amino-2-mercaptopyrimidine-5-carboxylicacid;SR-01000390825;SR-01000390825-1;6-amino-2-sulanylidene-1H-pyrimidine-5-carboxylic acid;6-Amino-1,2-dihydro-2-thioxo-5-pyrimidinecarboxylic acid;6-Amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylic acid;6-Amino-2-thioxo-1,2-dihydro-pyrimidine-5-c arboxylic acid

Chemical Property of 4-Amino-2-mercaptopyrimidine-5-carboxylic acid

Chemical Property:

• Melting Point: 253-263 °C (decomp)
• Boiling Point: 291.0±50.0 °C(Predicted)
• PKA: 5.38±0.20(Predicted)
• PSA: 127.90000
• Density: 1.82±0.1 g/cm3(Predicted)
• LogP: 0.62690
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 171.01024758
• Heavy Atom Count: 11
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-2-Mercaptopyrimidine-5-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=NC(=S)NC(=C1C(=O)O)N