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CAS 287196-93-4

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O-[4-Cyano-5-[[2-(trifluoromethyl)phenyl]amino]-3-isothiazolyl] O,O-diethyl phosphorothioate

Description:
O-[4-Cyano-5-[[2-(trifluoromethyl)phenyl]amino]-3-isothiazolyl] O,O-diethyl phosphorothioate is a chemical compound characterized by its complex structure, which includes a phosphorothioate moiety. This compound features a phosphorous atom bonded to two ethyl groups and a sulfur atom, indicating its classification as a phosphorothioate ester. The presence of a cyano group and an isothiazole ring contributes to its potential biological activity, often associated with agrochemical applications, particularly as an insecticide or herbicide. The trifluoromethyl group enhances lipophilicity, which may influence the compound's absorption and distribution in biological systems. Additionally, the compound's stability and reactivity can be affected by environmental factors, making it important to consider its degradation pathways. Safety and handling precautions are essential due to the potential toxicity associated with phosphorothioate compounds. Overall, this substance exemplifies the intricate relationship between chemical structure and biological function, highlighting its relevance in agricultural chemistry.
Formula:C15H15F3N3O3PS2
InChI:InChI=1S/C15H15F3N3O3PS2/c1-3-22-25(26,23-4-2)24-13-10(9-19)14(27-21-13)20-12-8-6-5-7-11(12)15(16,17)18/h5-8,20H,3-4H2,1-2H3
InChI key:InChIKey=DCLNWQNMWQISES-UHFFFAOYSA-N
SMILES:O(P(OCC)(OCC)=S)C=1C(C#N)=C(NC2=C(C(F)(F)F)C=CC=C2)SN1
Synonyms:
  • O-[4-Cyano-5-[[2-(trifluoromethyl)phenyl]amino]-3-isothiazolyl] O,O-diethyl phosphorothioate
  • Phosphorothioic acid, O-[4-cyano-5-[[2-(trifluoromethyl)phenyl]amino]-3-isothiazolyl] O,O-diethyl ester
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