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CHEBI:83396 - (S)-fipronil

ChEBI IDCHEBI:83396
ChEBI Name(S)-fipronil
Stars
ASCII Name(S)-fipronil
DefinitionA 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has S configuration at the sulfoxide.
Last Modified23 October 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H4Cl2F6N4OS
Net Charge0
Average Mass437.152
Monoisotopic Mass435.93871
SMILESN#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S@+]([O-])C(F)(F)F
InChIInChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2/t26-/m0/s1
InChIKeyZOCSXAVNDGMNBV-SANMLTNESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-fipronil (CHEBI:83396) is a 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile (CHEBI:83394)
(S)-fipronil (CHEBI:83396) is enantiomer of (R)-fipronil (CHEBI:83395)
Incoming Relation(s)
fipronil (CHEBI:5063) has part (S)-fipronil (CHEBI:83396)
(R)-fipronil (CHEBI:83395) is enantiomer of (S)-fipronil (CHEBI:83396)
IUPAC Name 
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(S)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
Synonyms  Source
(S)-(+)-fipronilChEBI
(+)-fipronilChEBI
Registry NumbersSources
Reaxys:11246528Reaxys
Citations