EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53620 - methylisothiazolinone

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:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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
MITChEBI
MIChEBI
Manual XrefsDatabases
MethylisothiazolinoneWikipedia
EP2289335Patent
Registry NumbersSources
Reaxys:606203Reaxys
CAS:2682-20-4ChemIDplus
CAS:2682-20-4NIST Chemistry WebBook
Citations