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CHEBI:82018 - fluthiacet

ChEBI IDCHEBI:82018
ChEBI Namefluthiacet
Stars
DefinitionA thiadiazolopyridazine that is 3-iminotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-one in which the exocyclic nitrogen has been substituted by a 5-[(carboxymethyl)thio]-4-chloro-2-fluorophenyl group. A protoporphyrinogen oxidase inhibitor, it is used (usually as the corresponding methyl ester proherbicide, fluthiacet-methyl) for the control of broad-leaved weeds in crops such as maize and soya.
Last Modified17 August 2017
DownloadsMolfile
FormulaC14H13ClFN3O3S2
Net Charge0
Average Mass389.861
Monoisotopic Mass389.00709
SMILESO=C(O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl
InChIInChI=1S/C14H13ClFN3O3S2/c15-8-5-9(16)10(6-11(8)23-7-12(20)21)17-13-18-3-1-2-4-19(18)14(22)24-13/h5-6H,1-4,7H2,(H,20,21)
InChIKeyXWROTTLWMHCFEC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor  An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
fluthiacet (CHEBI:82018) has role agrochemical (CHEBI:33286)
fluthiacet (CHEBI:82018) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
fluthiacet (CHEBI:82018) has role herbicide (CHEBI:24527)
fluthiacet (CHEBI:82018) is a monocarboxylic acid (CHEBI:25384)
fluthiacet (CHEBI:82018) is a monochlorobenzenes (CHEBI:83403)
fluthiacet (CHEBI:82018) is a monofluorobenzenes (CHEBI:83575)
fluthiacet (CHEBI:82018) is a organic sulfide (CHEBI:16385)
fluthiacet (CHEBI:82018) is a thiadiazolopyridazine (CHEBI:48874)
Incoming Relation(s)
fluthiacet-methyl (CHEBI:5133) has functional parent fluthiacet (CHEBI:82018)
IUPAC Name 
[(2-chloro-4-fluoro-5-{[(1Ξ)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetic acid
Synonyms  Source
{2-chloro-4-fluoro-5-[(EZ)-5,6,7,8-tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylideneamino]phenylthio}acetic acidAlan Wood's Pesticides
2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetic acidAlan Wood's Pesticides
[(2-chloro-4-fluoro-5-{[(1Ξ)-3-oxo-5,6,7,8-tetrahydro-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetic acidAlan Wood's Pesticides
Manual XrefsDatabases
C18859KEGG COMPOUND
fluthiacetAlan Wood's Pesticides
Registry NumbersSources
Reaxys:30957442Reaxys
CAS:149253-65-6KEGG COMPOUND
CAS:149253-65-6Alan Wood's Pesticides
CAS:149253-65-6ChemIDplus