4-Amino-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid

Base Information

• Chemical Name: 4-Amino-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
• CAS No.: 84424-75-9
• Molecular Formula: C4H4 N4 O3 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID60516733
• Wikidata: Q82378284
• Mol file: 84424-75-9.mol

Synonyms:84424-75-9;SCHEMBL11185698;DTXSID60516733;CYFRVORDYMTZQG-UHFFFAOYSA-N;4-Amino-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid;6-carboxy-3-mercapto-4-amino-1,2,4-triazin-5-one;4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid;4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylicacid

Chemical Property of 4-Amino-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid

Chemical Property:

• PSA: 149.90000
• LogP: -1.07980
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 188.00041118
• Heavy Atom Count: 12
• Complexity: 299

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NNC(=S)N(C1=O)N)C(=O)O

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