ECTO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_83518 http://purl.obolibrary.org/obo/CHEBI_83518 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_83518 Loading
Preferred name	4,5-dichloro-2-n-octyl-3(2H)-isothiazolone
Synonyms	4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one Kathon 930 DCOIT dichlorooctylisothiazolinone
Definitions	A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide.

obo_purl:RO_0000053	http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_78298 http://purl.obolibrary.org/obo/CHEBI_24127
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	CCCCCCCCn1sc(Cl)c(Cl)c1=O
obo_purl:charge	0
obo_purl:inchikey	PORQOHRXAJJKGK-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_78298 http://purl.obolibrary.org/obo/CHEBI_24127
oboinowl_gen:hasDbXref	CAS:64359-81-5 Patent:NZ524752 Reaxys:1110842 Patent:US2010256204 PMID:24850171
obo_purl:IAO_0000115	A 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide.
skos:notation	CHEBI:83518
oboinowl_gen:hasExactSynonym	4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one
obo_purl:mass	282.23000
obo_purl:inchi	InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3
obo_purl:formula	C11H17Cl2NOS
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	Kathon 930 DCOIT dichlorooctylisothiazolinone
oboinowl_gen:id	CHEBI:83518
rdfs:label	4,5-dichloro-2-n-octyl-3(2H)-isothiazolone
obo_purl:monoisotopicmass	281.04079
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_48902

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