CHEBI:192083 - fenmezoditiaz

ChEBI IDCHEBI:192083
ChEBI Namefenmezoditiaz
Stars
DefinitionAn iminium betaine that is 2,3,7,8-tetrahydro[1,3]thiazolo[3,2-a]pyrimidin-4-ium substituted by a 2-chloro-1,3-thiazol-5-yl, oxidanidyl, phenyl, oxo, and methyl groups at positions 3R, 5, 6, 7 and 8, respectively. It is a mesoionic insecticide developed by BASF.
Last Modified25 May 2022
SubmitterAdnan
DownloadsMolfile
FormulaC16H12ClN3O2S2
Net Charge0
Average Mass377.878
Monoisotopic Mass377.00595
SMILESCn1c2[n+](c([O-])c(-c3ccccc3)c1=O)[C@@H](c1cnc(Cl)s1)CS2
InChIInChI=1S/C16H12ClN3O2S2/c1-19-13(21)12(9-5-3-2-4-6-9)14(22)20-10(8-23-16(19)20)11-7-18-15(17)24-11/h2-7,10H,8H2,1H3/t10-/m1/s1
InChIKeyYGDKLOWGWUOTRD-SNVBAGLBSA-N
Roles Classification
Applications:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
fenmezoditiaz (CHEBI:192083) is a 1,3-thiazoles (CHEBI:38418)
fenmezoditiaz (CHEBI:192083) is a benzenes (CHEBI:22712)
fenmezoditiaz (CHEBI:192083) is a iminium betaine (CHEBI:35285)
fenmezoditiaz (CHEBI:192083) is a organochlorine insecticide (CHEBI:25705)
fenmezoditiaz (CHEBI:192083) is a thiazolopyrimidine (CHEBI:64196)
IUPAC Name 
(3R)-3-(2-chloro-1,3-thiazol-5-yl)-8-methyl-7-oxo-6-phenyl-2,3,7,8-tetrahydro[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate
Synonym  Source
(3R)-3-(2-chlorothiazol-5-yl)-8-methyl-7-oxo-6-phenyl-2,3,7,8-tetrahydro[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olateChemIDplus
Manual XrefsDatabases
fenmezoditiazAlan Wood's Pesticides
109120574ChemSpider
3363PPDB
WO2020058010Patent
Registry NumbersSources
CAS:2413390-32-4ChemIDplus