(5E)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Base Information

• Chemical Name: (5E)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• CAS No.: 851303-92-9
• Molecular Formula: C18H14N2O6S3
• Molecular Weight: 450.5
• Mol file: 851303-92-9.mol

Synonyms:(5E)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;851303-92-9;SCHEMBL3908152;SCHEMBL3908160;SCHEMBL13766513;AKOS000523874;AKOS016332903;3-(1,1-dioxidotetrahydro-3-thienyl)-5-[(5-{4-nitrophenyl}-2-furyl)methylene]-2-thioxo-1,3-thiazolidin-4-one;AB00088204-01;AG-690/36722008;3-[(5E)-5-{[5-(4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-13-THIAZOLIDIN-3-YL]-1LAMBDA6-THIOLANE-11-DIONE

Chemical Property of (5E)-3-(1,1-dioxothiolan-3-yl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Chemical Property:

• PKA: -3.14±0.20(Predicted)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 450.00139969
• Heavy Atom Count: 29
• Complexity: 839

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CS(=O)(=O)CC1N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])SC2=S
• Isomeric SMILES: C1CS(=O)(=O)CC1N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/SC2=S