fluthiacet (CHEBI:82018)

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ChEBI Name	fluthiacet

ChEBI ID	CHEBI:82018

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C14H13ClFN3O3S2

Net Charge

Average Mass

389.855

Monoisotopic Mass

389.00709

InChI

InChI=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)

InChIKey

XWROTTLWMHCFEC-UHFFFAOYSA-N

SMILES

C1CCN2N(C1)C(SC2=NC3=C(C=C(C(=C3)SCC(=O)O)Cl)F)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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).

Application(s):	herbicide A substance used to destroy plant pests. agrochemical An agrochemical is a substance that is used in agriculture or horticulture.

ChEBI Ontology
Outgoing	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	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	Sources
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 acid	Alan 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 acid	Alan Wood's Pesticides
{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 acid	Alan Wood's Pesticides

Last Modified

17 August 2017