2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid

Base Information

• Chemical Name: 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid
• CAS No.: 89139-32-2
• Molecular Formula: C7H7N3O4S
• DSSTox Substance ID: DTXSID00389448
• Wikidata: Q82185241

Synonyms:89139-32-2;2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid;ST50974597;Oprea1_411265;DTXSID00389448;AKOS000676133;SR-01000362737;SR-01000362737-1

Chemical Property of 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 229.01572689
• Heavy Atom Count: 15
• Complexity: 376

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=S)NC1=O)C(=O)NCC(=O)O

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