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ID	http://purl.obolibrary.org/obo/CHEBI_53621 http://purl.obolibrary.org/obo/CHEBI_53621 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_53621 Loading
Preferred name	chloromethylisothiazolinone
Synonyms	2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole 5-chloro-2-methyl-1,2-thiazol-3(2H)-one methylchloroisothiazolinone 5-chloro-2-methyl-2H-isothiazol-3-one CMIT MCI 5-Chloro-2-methyl-4-isothiazolin-3-one
Definitions	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).

obo_purl:RO_0000053	http://purl.obolibrary.org/obo/CHEBI_33281 Loading http://purl.obolibrary.org/obo/CHEBI_35703 Loading http://purl.obolibrary.org/obo/CHEBI_78298 Loading
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
obo_purl:smiles	Cn1sc(Cl)cc1=O
obo_purl:charge	0
obo_purl:inchikey	DHNRXBZYEKSXIM-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_33281 Loading http://purl.obolibrary.org/obo/CHEBI_35703 Loading http://purl.obolibrary.org/obo/CHEBI_78298 Loading
oboinowl_gen:hasDbXref	PMID:22994269 Reaxys:1210149 PMID:20566902 Wikipedia:Methylchloroisothiazolinone PMID:21616561 Beilstein:1210149 CAS:26172-55-4 PMID:10416701 PMID:23510349 PMID:23510348 PMID:20492831
obo_purl:IAO_0000115	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).
skos:notation	CHEBI:53621
oboinowl_gen:hasExactSynonym	5-chloro-2-methyl-1,2-thiazol-3(2H)-one
obo_purl:mass	149.59900
obo_purl:inchi	InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
obo_purl:has_functional_parent	http://purl.obolibrary.org/obo/CHEBI_53620 Loading
obo_purl:formula	C4H4ClNOS
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class Loading
oboinowl_gen:hasRelatedSynonym	2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole methylchloroisothiazolinone 5-chloro-2-methyl-2H-isothiazol-3-one CMIT MCI 5-Chloro-2-methyl-4-isothiazolin-3-one
oboinowl_gen:id	CHEBI:53621
rdfs:label	chloromethylisothiazolinone
obo_purl:monoisotopicmass	148.97021
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_36683 Loading http://purl.obolibrary.org/obo/CHEBI_48902 Loading

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