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CHEBI:72702 - 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride

ChEBI IDCHEBI:72702
ChEBI Name1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride
Stars
DefinitionAn organic chloride salt in which the cationic component is 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium.
Last Modified8 March 2013
SubmitterSandra Orchard
DownloadsMolfile
FormulaC8H13N2OS.Cl
Net Charge0
Average Mass220.725
Monoisotopic Mass220.04371
SMILESCC(=O)CSc1n(C)cc[n+]1C.[Cl-]
InChIInChI=1S/C8H13N2OS.ClH/c1-7(11)6-12-8-9(2)4-5-10(8)3;/h4-5H,6H2,1-3H3;1H/q+1;/p-1
InChIKeyNFZZAUJDSJWLTQ-UHFFFAOYSA-M
Roles Classification
Biological Role:
EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor  An EC 2.3.2.* (aminoacyltransferase) inhibitor that interferes with the action of protein-glutamine γ-glutamyltransferase (EC 2.3.2.13).
ChEBI Ontology
Outgoing Relation(s)
1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride (CHEBI:72702) has part 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium (CHEBI:72717)
1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride (CHEBI:72702) has role EC 2.3.2.13 (protein-glutamine γ-glutamyltransferase) inhibitor (CHEBI:72716)
1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride (CHEBI:72702) is a organic chloride salt (CHEBI:36094)
IUPAC Name 
1,3-dimethyl-2-[(2-oxopropyl)sulfanyl]-1H-imidazol-3-ium chloride
Synonyms  Source
R283ChEBI
2MeOTI ChlorideChemIDplus
Manual XrefsDatabases
US4968713Patent
Registry NumbersSources
Reaxys:15050640Reaxys
CAS:135273-74-4ChemIDplus
Citations