3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid
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![3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cd96d6139750409aba6d2428e128e29d.png "3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid")
3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid
structure -
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CAS No:
24075-57-8
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Formula:
C12H13N3O3S4
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Chemical Name:
3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid
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Synonyms:
Propanoic acid,3-[[4,5-dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]-;Propionic acid,3-[[5-(3-allyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-methyl-Δ2-1,3,4-thiadiazolin-2-yl]thio]-;Propanoic acid,3-[[4,5-dihydro-4-methyl-5-[4-oxo-3-(2-propenyl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]-;3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid
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CAS No:
3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid Basic Attributes
375.50992
375.51
246-007-4
Computed Properties
Molecular Weight:375.5
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:374.98397598
Monoisotopic Mass:374.98397598
Topological Polar Surface Area:181
Heavy Atom Count:22
Complexity:602
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[[4,5-Dihydro-4-methyl-5-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-1,3,4-thiadiazol-2-yl]thio]propanoic acid
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