CHEBI:53620 - methylisothiazolinone

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ChEBI Name methylisothiazolinone
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4H5NOS
Net Charge 0
Average Mass 115.15400
Monoisotopic Mass 115.00918
InChI InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
SMILES Cn1sccc1=O
Roles Classification
Biological Role(s): 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(s): antifouling biocide
A compound that inhibits the growth of marine organisms.
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ChEBI Ontology
Outgoing 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 chloromethylisothiazolinone (CHEBI:53621) has functional parent methylisothiazolinone (CHEBI:53620)
MCI/MI (CHEBI:63556) has part methylisothiazolinone (CHEBI:53620)
Synonyms Sources
2-Methyl-3(2H)-isothiazolone ChemIDplus
2-Methyl-4-isothiazolin-3-one ChemIDplus
Manual Xrefs Databases
EP2289335 Patent
Methylisothiazolinone Wikipedia
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Registry Numbers Types Sources
2682-20-4 CAS Registry Number ChemIDplus
2682-20-4 CAS Registry Number NIST Chemistry WebBook
606203 Beilstein Registry Number Beilstein
606203 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18198720 PubMed citation Europe PMC
21504436 PubMed citation Europe PMC
21616561 PubMed citation Europe PMC
21777214 PubMed citation Europe PMC
23340392 PubMed citation Europe PMC
23510348 PubMed citation Europe PMC
23510349 PubMed citation Europe PMC
23601061 PubMed citation Europe PMC
Last Modified
09 October 2013