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Environmental conditions, treatments and exposures ontology
Last uploaded:
February 14, 2023
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| Preferred Name | methylisothiazolinone | |
| Synonyms |
2-Methyl-4-isothiazolin-3-one 2-Methyl-3(2H)-isothiazolone MI MIT 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 |
|
| bearer of | ||
| charge |
0
|
|
| formula |
C4H5NOS
|
|
| has exact synonym |
2-methyl-1,2-thiazol-3(2H)-one
|
|
| has role | ||
| hasOBONamespace |
chebi_ontology
|
|
| hasRelatedSynonym |
2-Methyl-4-isothiazolin-3-one 2-Methyl-3(2H)-isothiazolone MI MIT
|
|
| id |
CHEBI:53620
|
|
| inchi |
InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
|
|
| inchikey |
BEGLCMHJXHIJLR-UHFFFAOYSA-N
|
|
| inSubset | ||
| label |
methylisothiazolinone
|
|
| mass |
115.15400
|
|
| monoisotopicmass |
115.00918
|
|
| notation |
CHEBI:53620
|
|
| prefLabel |
methylisothiazolinone
|
|
| smiles |
Cn1sccc1=O
|
|
| textual 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).
|
|
| xRef |
CAS:2682-20-4 Patent:EP2289335 PMID:21616561 Wikipedia:Methylisothiazolinone PMID:23340392 Beilstein:606203 PMID:18198720 PMID:23510349 PMID:23510348 PMID:21504436 Reaxys:606203 PMID:21777214 PMID:23601061
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| subClassOf |
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