CHEBI:39299 - diafenthiuron

ChEBI IDCHEBI:39299
ChEBI Namediafenthiuron
Stars
DefinitionAn aromatic ether that is 1,3-diisopropyl-5-phenoxybenzene in which the hydrogen atom at position 2 is substituted by a (tert-butylcarbamothioyl)nitrilo group. An agricultural proinsecticide which is used to control mites, aphids and whitefly in cotton.
Last Modified13 July 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H32N2OS
Net Charge0
Average Mass384.589
Monoisotopic Mass384.22353
SMILESCC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C
InChIInChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)
InChIKeyWOWBFOBYOAGEEA-UHFFFAOYSA-N
Roles Classification
Biological Role:
oxidative phosphorylation inhibitor  Any compound that inhibits oxidative phosphorylation.
Applications:
proinsecticide  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active insecticide for which it is a proinsecticide.
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.
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
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)
diafenthiuron (CHEBI:39299) has functional parent diphenyl ether (CHEBI:39258)
diafenthiuron (CHEBI:39299) has role oxidative phosphorylation inhibitor (CHEBI:73267)
diafenthiuron (CHEBI:39299) has role proinsecticide (CHEBI:136644)
diafenthiuron (CHEBI:39299) is a aromatic ether (CHEBI:35618)
diafenthiuron (CHEBI:39299) is a thiourea acaricide (CHEBI:39296)
diafenthiuron (CHEBI:39299) is a thiourea insecticide (CHEBI:39295)
Incoming Relation(s)
diafenthiuron-S-oxide (CHEBI:141200) has functional parent diafenthiuron (CHEBI:39299)
IUPAC Name 
1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea
Synonyms  Source
DiafenthiuronChemIDplus
3-(2,6-diisopropyl-4-phenoxyphenyl)-1-tert-butylthioureaChemIDplus
N-(2,6-bis(1-methylethyl)-4-phenoxyphenyl)-N'-(1,1-dimethylethyl)thioureaChemIDplus
CGA 106630ChemIDplus
PoloChemIDplus
CG 167ChEBI
Brand Name  Source
PegasusChemIDplus
Manual XrefsDatabases
C18781KEGG COMPOUND
diafenthiuronAlan Wood's Pesticides
210PPDB
Registry NumbersSources
Beilstein:8343025Beilstein
CAS:80060-09-9ChemIDplus
CAS:80060-09-9KEGG COMPOUND
Citations