4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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![4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5fa6d2518cfd4eda931ba9870a70339c.png "4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid")
4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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CAS No:
305376-89-0
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Formula:
C17H10N2O5S2
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Chemical Name:
4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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Synonyms:
MssL-IN-2I;(Z)-4-(5-(4-Nitrobenzylidene)-4-oxo-2-thioxotetrahydrothiophen-3-yl)benzoic acid;305376-89-0;ZINC1774378;AKOS001604641;ST50147008;4-[(5Z)-5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid;4-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic ac id
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CAS No:
4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Basic Attributes
386.4 g/mol
386.00311377 g/mol
Computed Properties
Molecular Weight:386.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:386.00311377
Monoisotopic Mass:386.00311377
Topological Polar Surface Area:161
Heavy Atom Count:26
Complexity:644
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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