{2-[(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy}acetic acid

Base Information

• Chemical Name: {2-[(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy}acetic acid
• CAS No.: 94393-22-3
• Molecular Formula: C33H30N2O8S2
• DSSTox Substance ID: DTXSID40421811
• Wikidata: Q82233490
• ChEMBL ID: CHEMBL3325973

Synonyms:CHEMBL3325973;{2-[(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy}acetic acid;94393-22-3;DTXSID40421811;BDBM50055037

Chemical Property of {2-[(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-nitrophenoxy}acetic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 368.01367845
• Heavy Atom Count: 24
• Complexity: 588

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)O)SC1=S
• Isomeric SMILES: CCN1C(=O)/C(=C\C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)O)/SC1=S

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