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CHEBI:53620 - methylisothiazolinone

Default Structure
ChEBI IDCHEBI:53620
ChEBI Namemethylisothiazolinone
Stars
DefinitionA 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product KathonTM.
Last Modified9 October 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H5NOS
Net Charge0
Average Mass115.157
Monoisotopic Mass115.00918
SMILESCn1sccc1=O
InChIInChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
InChIKeyBEGLCMHJXHIJLR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:
antifouling biocide  A compound that inhibits the growth of marine organisms.
ChEBI Ontology
Outgoing Relation(s)
methylisothiazolinone (CHEBI:53620) has role antifouling biocide (CHEBI:51076)
methylisothiazolinone (CHEBI:53620) has role antifungal agent (CHEBI:35718)
methylisothiazolinone (CHEBI:53620) has role antimicrobial agent (CHEBI:33281)
methylisothiazolinone (CHEBI:53620) is a 1,2-thiazoles (CHEBI:48902)
Incoming Relation(s)
chloromethylisothiazolinone (CHEBI:53621) has functional parent methylisothiazolinone (CHEBI:53620)
MCI/MI (CHEBI:63556) has part methylisothiazolinone (CHEBI:53620)
IUPAC Name 
2-methyl-1,2-thiazol-3(2H)-one
Synonyms  Source
2-Methyl-3(2H)-isothiazoloneChemIDplus
2-Methyl-4-isothiazolin-3-oneChemIDplus
MIChEBI
MITChEBI
Manual XrefsDatabases
EP2289335Patent
MethylisothiazolinoneWikipedia
Registry NumbersSources
Reaxys:606203Reaxys
CAS:2682-20-4ChemIDplus
CAS:2682-20-4NIST Chemistry WebBook
Citations