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CHEBI:35012 - thiodiacetic acid

Default Structure
ChEBI IDCHEBI:35012
ChEBI Namethiodiacetic acid
Stars
Last Modified23 October 2015
DownloadsMolfile
FormulaC4H6O4S
Net Charge0
Average Mass150.155
Monoisotopic Mass149.99868
SMILESO=C(O)CSCC(=O)O
InChIInChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKeyUVZICZIVKIMRNE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
thiodiacetic acid (CHEBI:35012) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
2,2'-thiodiacetic acid
Synonyms  Source
2,2'-thiobisacetic acidChemIDplus
2,2'-thiodiethanoic acidChemIDplus
(carboxymethylthio)acetic acidChemIDplus
dicarboxymethyl sulfideChemIDplus
thiodi(acetic acid)ChemIDplus
Thiodiacetic acidKEGG COMPOUND
Manual XrefsDatabases
C14872KEGG COMPOUND
Registry NumbersSources
Gmelin:142189Gmelin
Beilstein:1764392Beilstein
CAS:123-93-3KEGG COMPOUND
CAS:123-93-3ChemIDplus