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3-(5'-OXO-2'-THIOXOIMIDAZOLIDIN-4'-YL)-PROPIONIC-ACID
SpectraBase Compound ID EXkJIqpII76
InChI InChI=1S/C6H8N2O3S/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)
InChIKey KUXWRHDAVRASKI-UHFFFAOYSA-N
Mol Weight 188.2 g/mol
Molecular Formula C6H8N2O3S
Exact Mass 188.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95nIxITGWqh
Name 3-(5-Oxo-2-thioxo-4-imidazolidinyl)propanoic acid
CAS Registry Number 61160-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8N2O3S
InChI InChI=1S/C6H8N2O3S/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)
InChIKey KUXWRHDAVRASKI-UHFFFAOYSA-N
Molecular Weight 188.201 g/mol
SMILES N1C(=NC(CCC(=O)O)C1=O)S
SPLASH splash10-1170-9400000000-d9f9a57b418d47ab0afe
Source of Spectrum O-11-558-2
Synonyms 2-Thioxo-imidazolidin-4-one-5-propanolic acid 3-(5-keto-2-thioxo-imidazolidin-4-yl)propionic acid 3-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl)propanoic acid 3-(5-oxo-2-sulfanylidene-4-imidazolidinyl)propanoic acid 3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid 3-(5-oxo-2-thioxo-imidazolidin-4-yl)propanoic acid
Wiley ID 1184142