5-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-hydroxybenzoic acid

Base Information

• Chemical Name: 5-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-hydroxybenzoic acid
• CAS No.: 313394-27-3
• Molecular Formula: C15H9NO6S
• NSC Number: 731226
• DSSTox Substance ID: DTXSID60361083
• Nikkaji Number: J2.164.874D
• Wikidata: Q82143216
• ChEMBL ID: CHEMBL604159
• Mol file: 313394-27-3.mol

Synonyms:CHEMBL604159;313394-27-3;5-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-hydroxybenzoic acid;(Z)-5-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-2-hydroxybenzoic acid;5-(5-{[(5Z)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-hydroxybenzoic acid;947382-97-0;SCHEMBL3767144;DTXSID60361083;BDBM50308355;NSC731226;AKOS002344170;NSC-731226;BIM-0034982.P001;AK-968/09173015;SR-01000357985;SR-01000357985-1;F0901-6188;5-[5-(2,4-Dioxothiazolidine-5-ylidenemethyl)-2-furanyl]-2-hydroxybenzoic acid

Chemical Property of 5-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-hydroxybenzoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 331.01505818
• Heavy Atom Count: 23
• Complexity: 562

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=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)NC(=O)S3)C(=O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3)C(=O)O)O

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