@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix ns2: <InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/> .
obo_purl:CHEBI_53621
metadata_def:mappingLoom "chloromethylisothiazolinone" ;
metadata_def:mappingSameURI obo_purl:CHEBI_53621 ;
metadata_def:prefLabel "chloromethylisothiazolinone" ;
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)." ;
obo_purl:RO_0000087 obo_purl:CHEBI_33281, obo_purl:CHEBI_35703, obo_purl:CHEBI_78298 ;
ns0:has_functional_parent obo_purl:CHEBI_53620 ;
ns1:charge "0" ;
ns1:formula "C4H4ClNOS" ;
ns1:inchi "InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3" ;
ns1:inchikey "DHNRXBZYEKSXIM-UHFFFAOYSA-N" ;
ns1:mass "149.59900" ;
ns1:monoisotopicmass "148.97021" ;
ns1:smiles "Cn1sc(Cl)cc1=O" ;
oboinowl_gen:hasDbXref "Beilstein:1210149", "CAS:26172-55-4", "PMID:10416701", "PMID:20492831", "PMID:20566902", "PMID:21616561", "PMID:22994269", "PMID:23510348", "PMID:23510349", "Reaxys:1210149", "Wikipedia:Methylchloroisothiazolinone" ;
oboinowl_gen:hasExactSynonym "5-chloro-2-methyl-1,2-thiazol-3(2H)-one" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole", "5-Chloro-2-methyl-4-isothiazolin-3-one", "5-chloro-2-methyl-2H-isothiazol-3-one", "CMIT", "MCI", "methylchloroisothiazolinone" ;
oboinowl_gen:id "CHEBI:53621" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "chloromethylisothiazolinone" ;
rdfs:subClassOf obo_purl:CHEBI_36683, obo_purl:CHEBI_48902 ;
skos:notation "CHEBI:53621" .
obo_purl:ECTO_9000737
obo_purl:RO_0002309 obo_purl:CHEBI_53621 .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix ns2: <InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/> .
obo_purl:CHEBI_53621
metadata_def:mappingLoom "chloromethylisothiazolinone" ;
metadata_def:mappingSameURI obo_purl:CHEBI_53621 ;
metadata_def:prefLabel "chloromethylisothiazolinone" ;
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)." ;
obo_purl:RO_0000087 obo_purl:CHEBI_33281, obo_purl:CHEBI_35703, obo_purl:CHEBI_78298 ;
ns0:has_functional_parent obo_purl:CHEBI_53620 ;
ns1:charge "0" ;
ns1:formula "C4H4ClNOS" ;
ns1:inchi "InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3" ;
ns1:inchikey "DHNRXBZYEKSXIM-UHFFFAOYSA-N" ;
ns1:mass "149.59900" ;
ns1:monoisotopicmass "148.97021" ;
ns1:smiles "Cn1sc(Cl)cc1=O" ;
oboinowl_gen:hasDbXref "Beilstein:1210149", "CAS:26172-55-4", "PMID:10416701", "PMID:20492831", "PMID:20566902", "PMID:21616561", "PMID:22994269", "PMID:23510348", "PMID:23510349", "Reaxys:1210149", "Wikipedia:Methylchloroisothiazolinone" ;
oboinowl_gen:hasExactSynonym "5-chloro-2-methyl-1,2-thiazol-3(2H)-one" ;
oboinowl_gen:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole", "5-Chloro-2-methyl-4-isothiazolin-3-one", "5-chloro-2-methyl-2H-isothiazol-3-one", "CMIT", "MCI", "methylchloroisothiazolinone" ;
oboinowl_gen:id "CHEBI:53621" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "chloromethylisothiazolinone" ;
rdfs:subClassOf obo_purl:CHEBI_36683, obo_purl:CHEBI_48902 ;
skos:notation "CHEBI:53621" .
obo_purl:ECTO_9000737
obo_purl:RO_0002309 obo_purl:CHEBI_53621 .