4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid
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![4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2c94302cb5b24945a0e210023ab87b64.png "4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid")
4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid
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CAS No:
86650-15-9
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Formula:
C20H16N2O3S2
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Chemical Name:
4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid
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Synonyms:
Benzoic acid,4-(((5-(3-phenyl-2-propenylidene)-4-oxo-2-thioxothiazolidin-3-yl)methyl)amino); 4-(((5-(3-Phenyl-2-propenylidene)-4-oxo-2-thioxothiazolidin-3-yl)methyl)amino)benzoic acid;
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CAS No:
4-[[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoic acid Basic Attributes
396.48300
396.06023472
Computed Properties
Molecular Weight:396.5
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:396.06023472
Monoisotopic Mass:396.06023472
Topological Polar Surface Area:127
Heavy Atom Count:27
Complexity:633
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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