2-(4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)pentanedioic acid

Base Information

• Chemical Name: 2-(4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)pentanedioic acid
• CAS No.: 16942-88-4
• Molecular Formula: C8H9NO5S2
• Molecular Weight: 263.295
• DSSTox Substance ID: DTXSID90383056
• Mol file: 16942-88-4.mol

Synonyms:16942-88-4;Pentanedioic acid, 2-(4-oxo-2-thioxo-3-thiazolidinyl)-;2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)pentanedioic acid;2-(4-Oxo-2-thioxothiazolidin-3-yl)pentanedioic acid;2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanedioicacid;CBDivE_001690;SBB015137;Oprea1_616460;Oprea1_785144;C8H9NO5S2;SCHEMBL6888295;DTXSID90383056;NSC822327;STK347674;AKOS000271001;AKOS016039326;NSC-822327;SR-01000496128;SR-01000496128-1;Z56823731

Chemical Property of 2-(4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)pentanedioic acid

Chemical Property:

• PSA: 152.30000
• LogP: 0.10260
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 262.99221473
• Heavy Atom Count: 16
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C(=S)S1)C(CCC(=O)O)C(=O)O

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