4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid
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![4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1a247e3786834e17aced4d54362d5608.png "4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid")
4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid
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CAS No:
103987-82-2
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Formula:
C11H7NO3S2
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Chemical Name:
4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid
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Synonyms:
Benzoic acid,4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-;p-Toluic acid,α-(4-oxo-2-thioxo-5-thiazolidinylidene)-;4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid;NSC 409063
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CAS No:
4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid Basic Attributes
265.31
265.31
2934100090
Characteristics
130.83000
1.72050
1.6g/cm3
307-308 °C (decomp) @ Solvent: Acetic acid
487.1ºC at 760 mmHg
248.4ºC
1.763
2.65E-10mmHg at 25°C
Computed Properties
Molecular Weight:265.3
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:264.98673543
Monoisotopic Mass:264.98673543
Topological Polar Surface Area:124
Heavy Atom Count:17
Complexity:398
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[(4-Oxo-2-thioxo-5-thiazolidinylidene)methyl]benzoic acid
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