4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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![4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cac45a77e1d44a20b3935d0a87bbf22c.png "4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid")
4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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CAS No:
845653-56-7
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Formula:
C16H12N2O3S2
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Chemical Name:
4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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Synonyms:
845653-56-7;(E)-4-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid;4-[(5E)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid;HMS1655B19;ZINC2415686;AKOS002229429;4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid;ST50110426;SR-01000019096;SR-01000019096-1;F1950-0008;4-{5-[(1-methylpyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benz oic acid
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CAS No:
4-[(5E)-5-[(1-methylpyrrol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Basic Attributes
344.4 g/mol
344.02893460 g/mol
Computed Properties
Molecular Weight:344.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:344.02893460
Monoisotopic Mass:344.02893460
Topological Polar Surface Area:120
Heavy Atom Count:23
Complexity:556
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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