Terminology Service for NFDI4Health

methylisothiazolinone

Go to external page http://purl.obolibrary.org/obo/CHEBI_53620


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).

Term info

Label

methylisothiazolinone

Synonyms
  • 2-methyl-1,2-thiazol-3(2H)-one
database cross reference
Subsets

3_STAR

IUPAC NAME
2-methyl-1,2-thiazol-3(2H)-one [ IUPAC ]

charge

0

formula

C4H5NOS

has obo namespace

chebi_ontology

has related synonym

2-Methyl-4-isothiazolin-3-one, 2-Methyl-3(2H)-isothiazolone, MIT, MI

id

CHEBI:53620

inchi

InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3

inchikey

BEGLCMHJXHIJLR-UHFFFAOYSA-N

mass

115.15400

monoisotopicmass

115.00918

smiles

Cn1sccc1=O