CHEBI:53620 - methylisothiazolinone

Main ChEBI Ontology Automatic Xrefs
ChEBI Name methylisothiazolinone
ChEBI ID CHEBI:53620
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.
Supplier Information
Save molfile Download Molfile
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C4H5NOS
Net Charge 0
Average Mass 115.15400
InChI InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
InChIKey BEGLCMHJXHIJLR-UHFFFAOYSA-N
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. Antifungal agents differ from industrial fungicides in that they defend against fungi present in human or animal tissues.
Application(s): antifouling biocide
A compound that inhibits the growth of marine organisms.
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. Antifungal agents differ from industrial fungicides in that they defend against fungi present in human or animal tissues.
View more via ChEBI Ontology
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-thiazole (CHEBI:48902)
Incoming 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 Sources
2-Methyl-3(2H)-isothiazolone ChemIDplus
2-Methyl-4-isothiazolin-3-one ChemIDplus
MI ChEBI
MIT ChEBI
Database Links Databases
EP2289335 Patent
Methylisothiazolinone Wikipedia
View more database links
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 CiteXplore
21504436 PubMed citation CiteXplore
21616561 PubMed citation CiteXplore
21777214 PubMed citation CiteXplore
23340392 PubMed citation CiteXplore
23510348 PubMed citation CiteXplore
23510349 PubMed citation CiteXplore
23601061 PubMed citation CiteXplore
Last Modified
09 October 2013