3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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![3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8faa5087bc734bb8a77dbbddb8472497.png "3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid")
3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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CAS No:
306323-56-8
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Formula:
C16H15NO3S2
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Chemical Name:
3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
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Synonyms:
306323-56-8;3-((E)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid;3-{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid;MLS001197413;CHEMBL1556772;HMS2867I17;ZINC4812718;STK534199;AKOS001630336;3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;SMR000555346;F0393-0113;3-{(5E)-5-[(2E)-2-METHYL-3-PHENYL-2-PROPENYLIDENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL}PROPANOIC ACID;3-{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
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CAS No:
3-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Basic Attributes
333.4 g/mol
333.04933569 g/mol
Computed Properties
Molecular Weight:333.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:333.04933569
Monoisotopic Mass:333.04933569
Topological Polar Surface Area:115
Heavy Atom Count:22
Complexity:534
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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