EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229738 - bentioflumin

ChEBI IDCHEBI:229738
ChEBI Namebentioflumin
Stars
DefinitionAn aryl sulfide that is benzene substituted by {[2-(methoxycarbonyl)phenyl]methyl}amino, fluoro, chloro, and (2,2,2-trifluoroethyl)sulfanediyl groups at positions 1, 2, 4 and 5, respectively. It is an acaricide discovered by Shandong Kangqiao Bio-technology Co. Ltd that is highly effective against citrus rust mites, red spider mites, and two-spotted spider mites and has excellent leaf penetration properties.
Last Modified11 March 2024
SubmitterAdnan
DownloadsMolfile
FormulaC17H14ClF4NO2S
Net Charge0
Average Mass407.816
Monoisotopic Mass407.03699
SMILESCOC(=O)c1ccccc1CNc1cc(SCC(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C17H14ClF4NO2S/c1-25-16(24)11-5-3-2-4-10(11)8-23-14-7-15(12(18)6-13(14)19)26-9-17(20,21)22/h2-7,23H,8-9H2,1H3
InChIKeyWITOTVAOHGMELX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
ChEBI Ontology
Outgoing Relation(s)
bentioflumin (CHEBI:229738) has role acaricide (CHEBI:22153)
bentioflumin (CHEBI:229738) is a aryl sulfide (CHEBI:35683)
bentioflumin (CHEBI:229738) is a benzoate ester (CHEBI:36054)
bentioflumin (CHEBI:229738) is a monochlorobenzenes (CHEBI:83403)
bentioflumin (CHEBI:229738) is a monofluorobenzenes (CHEBI:83575)
bentioflumin (CHEBI:229738) is a organofluorine compound (CHEBI:37143)
bentioflumin (CHEBI:229738) is a substituted aniline (CHEBI:48975)
IUPAC Name 
methyl 2-({4-chloro-2-fluoro-5-[(2,2,2-trifluoroethyl)sulfanyl]anilino}methyl)benzoate
Synonyms  Source
methyl 2-({4-chloro-2-fluoro-5-[(2,2,2-trifluoroethyl)thio]anilino}methyl)benzoateAlan Wood's Pesticides
methyl α-{4-chloro-2-fluoro-5-[(2,2,2-trifluoroethyl)thio]anilino}toluateAlan Wood's Pesticides
methyl 2-[[[4-chloro-2-fluoro-5-[(2,2,2-trifluoroethyl)thio]phenyl]amino]methyl]benzoateAlan Wood's Pesticides
Manual XrefsDatabases
bentiofluminAlan Wood's Pesticides
Registry NumbersSources
CAS:2566451-67-8Alan Wood's Pesticides