Terminology Service for NFDI4Health
chloromethylisothiazolinone
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http://purl.obolibrary.org/obo/CHEBI_53621
A 1,2-thiazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom and a chlorine at C-5. It is a powerful biocide and preservative and is the major active ingredient in the commercial product Kathon(TM).
Term info
Label
chloromethylisothiazolinone
Synonyms
- 5-chloro-2-methyl-1,2-thiazol-3(2H)-one
Subsets
3_STAR
charge
0
formula
C4H4ClNOS
has obo namespace
chebi_ontology
has related synonym
MCI, 2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole, methylchloroisothiazolinone, 5-chloro-2-methyl-2H-isothiazol-3-one, 5-Chloro-2-methyl-4-isothiazolin-3-one, CMIT
id
CHEBI:53621
inchi
InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
inchikey
DHNRXBZYEKSXIM-UHFFFAOYSA-N
mass
149.59900
monoisotopicmass
148.97021
smiles
Cn1sc(Cl)cc1=O
Term relations
Subclass of:
- organochlorine compound
- 1,2-thiazoles
- has role some antimicrobial agent
- has functional parent some methylisothiazolinone
- has role some xenobiotic
- has role some environmental contaminant