2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoic acid
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![2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/600cb6c674c44a1b8096464341540d71.png "2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoic acid")
2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoic acid
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CAS No:
60725-23-7
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Formula:
C5H6N2O2S3
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Chemical Name:
2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoic acid
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Synonyms:
Propanoic acid,2-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-;2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoic acid;2-Carboxyethylthio-5-mercapto-1,3,4-thiadiazole;2-((5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)propanoic acid;2-[(5-Sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
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CAS No:
2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propanoic acid Basic Attributes
222.30800
222.31
DTXSID30612791
2934999090
Computed Properties
Molecular Weight:222.3
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:221.95914096
Monoisotopic Mass:221.95914096
Topological Polar Surface Area:144
Heavy Atom Count:12
Complexity:253
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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