CHEBI:229738 - bentioflumin

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ChEBI Name bentioflumin ChEBI ID CHEBI:229738 Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H14ClF4NO2S Net Charge 0 Average Mass 407.810 Monoisotopic Mass 407.03699 InChI InChI=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 InChIKey WITOTVAOHGMELX-UHFFFAOYSA-N SMILES COC(=O)C1=C(CNC2=C(F)C=C(Cl)C(SCC(F)(F)F)=C2)C=CC=C1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Application(s): acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources methyl 2-({4-chloro-2-fluoro-5-[(2,2,2-trifluoroethyl)thio]anilino}methyl)benzoate Alan Wood's Pesticides methyl 2-[[[4-chloro-2-fluoro-5-[(2,2,2-trifluoroethyl)thio]phenyl]amino]methyl]benzoate Alan Wood's Pesticides methyl α-{4-chloro-2-fluoro-5-[(2,2,2-trifluoroethyl)thio]anilino}toluate Alan Wood's Pesticides Manual Xref Database bentioflumin Alan Wood's Pesticides View more database links Registry Number Type Source 2566451-67-8 CAS Registry Number Alan Wood's Pesticides Last Modified 11 March 2024