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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | methylisothiazolinone | |
| Synonyms |
MIT MI 2-Methyl-4-isothiazolin-3-one 2-Methyl-3(2H)-isothiazolone 2-methyl-1,2-thiazol-3(2H)-one |
|
| Definitions |
A 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product Kathon(TM). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_53620 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:23340392 PMID:23510348 PMID:21504436 PMID:18198720 PMID:21616561 Wikipedia:Methylisothiazolinone PMID:23510349 PMID:23601061 CAS:2682-20-4 Reaxys:606203 PMID:21777214 Patent:EP2289335
|
|
| definition |
A 1,2-thazole that is 4-isothiazolin-3-one bearing a methyl group on the nitrogen atom. It is a powerful biocide and preservative and is the minor active ingredient in the commercial product Kathon(TM).
|
|
| formula |
C4H5NOS
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_51076 |
|
| has_exact_synonym |
2-methyl-1,2-thiazol-3(2H)-one
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
MIT MI 2-Methyl-4-isothiazolin-3-one 2-Methyl-3(2H)-isothiazolone
|
|
| id |
CHEBI:53620
|
|
| in_subset | ||
| inchi |
InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
|
|
| inchikey |
BEGLCMHJXHIJLR-UHFFFAOYSA-N
|
|
| label |
methylisothiazolinone
|
|
| mass |
115.15400
|
|
| monoisotopicmass |
115.00918
|
|
| notation |
CHEBI:53620
|
|
| prefLabel |
methylisothiazolinone
|
|
| smiles |
Cn1sccc1=O
|
|
| treeView | ||
| subClassOf |
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