<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:ns0="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_53621"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_36683"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_48902"/> <rdfs:label>chloromethylisothiazolinone</rdfs:label> <skos:notation>CHEBI:53621</skos:notation> <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:IAO_0000115> <oboinowl_gen:hasExactSynonym>5-chloro-2-methyl-1,2-thiazol-3(2H)-one</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>PMID:21616561</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Beilstein:1210149</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:26172-55-4</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:10416701</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20492831</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:20566902</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22994269</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23510348</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23510349</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:1210149</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Methylchloroisothiazolinone</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:53621</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>chloromethylisothiazolinone</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>5-Chloro-2-methyl-4-isothiazolin-3-one</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>5-chloro-2-methyl-2H-isothiazol-3-one</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>CMIT</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>MCI</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>methylchloroisothiazolinone</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>chloromethylisothiazolinone</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_53621"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33281"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35703"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78298"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C4H4ClNOS</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>DHNRXBZYEKSXIM-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>149.59900</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>148.97021</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>Cn1sc(Cl)cc1=O</obo_purl:chebi/smiles> <ns0:has_functional_parent rdf:resource="http://purl.obolibrary.org/obo/CHEBI_53620"/> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9000737"> <obo_purl:RO_0002309> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_53621"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_53621"/> </rdf:Description> </obo_purl:RO_0002309> </rdf:Description> </rdf:RDF>