methylisothiazolinone (CHEBI:53620)

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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 Kathon^TM.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C4H5NOS

Net Charge

Average Mass

115.15400

Monoisotopic Mass

115.00918

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.

Application(s):	antifouling biocide A compound that inhibits the growth of marine organisms.

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)

IUPAC Name

2-methyl-1,2-thiazol-3(2H)-one

Last Modified

09 October 2013