fipronil-sulfide (CHEBI:83488)

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ChEBI Name	fipronil-sulfide

ChEBI ID	CHEBI:83488

Definition	A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfanyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil.

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

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Formula

C12H4Cl2F6N4S

Net Charge

Average Mass

421.14800

Monoisotopic Mass

419.94379

InChI

InChI=1S/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2

InChIKey

FQXWEKADCSXYOC-UHFFFAOYSA-N

SMILES

Nc1c(SC(F)(F)F)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N

Roles Classification
Biological Role(s):	marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	fipronil-sulfide (CHEBI:83488) has role marine xenobiotic metabolite (CHEBI:83399) fipronil-sulfide (CHEBI:83488) is a (trifluoromethyl)benzenes (CHEBI:83565) fipronil-sulfide (CHEBI:83488) is a dichlorobenzene (CHEBI:23697) fipronil-sulfide (CHEBI:83488) is a nitrile (CHEBI:18379) fipronil-sulfide (CHEBI:83488) is a organic sulfide (CHEBI:16385) fipronil-sulfide (CHEBI:83488) is a pyrazoles (CHEBI:26410)

IUPAC Name

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfanyl]-1H-pyrazole-3-carbonitrile

Last Modified

12 November 2014