2-Sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylic acid

Base Information

• Chemical Name: 2-Sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylic acid
• CAS No.: 69579-42-6
• Molecular Formula: C5H4N2O4S
• DSSTox Substance ID: DTXSID60558451
• Wikidata: Q82440762

Synonyms:69579-42-6;2-Sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylic acid;SCHEMBL9280474;SCHEMBL20577753;DTXSID60558451;2-SULFANYLIDENE-1,3-DIHYDROIMIDAZOLE-4,5-DICARBOXYLIC ACID

Chemical Property of 2-Sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylic acid

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 187.98917779
• Heavy Atom Count: 12
• Complexity: 281

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(NC(=S)N1)C(=O)O)C(=O)O

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