Triazophos
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Basic Info
| Common Name | Triazophos(F06217) |
| 2D Structure | |
| FRCD ID | F06217 |
| CAS Number | 24017-47-8 |
| PubChem CID | 32184 |
| Formula | C12H16N3O3PS |
| IUPAC Name | diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-$l^{5}-phosphane |
| InChI Key | AMFGTOFWMRQMEM-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 |
| Canonical SMILES | CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 |
| Isomeric SMILES | CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 |
| Synonyms |
Phosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester
Triazophos
Hostathion
TRIAZOFOS
24017-47-8
Methoxone
HOE 2960
Triazofosz (Hungarian)
Hostation
Triazophos [BSI:ISO]
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Aryl thiophosphate - Thiophosphate triester - Monocyclic benzene moiety - Thiophosphoric acid ester - Benzenoid - Organic thiophosphoric acid or derivatives - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 313.312 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Complexity | 332 |
| Monoisotopic Mass | 313.065 |
| Exact Mass | 313.065 |
| XLogP | 3.5 |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9562 |
| Human Intestinal Absorption | HIA+ | 1.0000 |
| Caco-2 Permeability | Caco2- | 0.5580 |
| P-glycoprotein Substrate | Non-substrate | 0.8545 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.6954 |
| Non-inhibitor | 0.9838 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9091 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.6282 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.6109 |
| CYP450 2D6 Substrate | Non-substrate | 0.7828 |
| CYP450 3A4 Substrate | Non-substrate | 0.5298 |
| CYP450 1A2 Inhibitor | Inhibitor | 0.5203 |
| CYP450 2C9 Inhibitor | Inhibitor | 0.5430 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9059 |
| CYP450 2C19 Inhibitor | Inhibitor | 0.5131 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.5456 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.6796 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.8402 |
| Non-inhibitor | 0.7906 | |
| AMES Toxicity | AMES toxic | 0.5062 |
| Carcinogens | Non-carcinogens | 0.6660 |
| Fish Toxicity | High FHMT | 0.9920 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9161 |
| Honey Bee Toxicity | High HBT | 0.6240 |
| Biodegradation | Not ready biodegradable | 0.9950 |
| Acute Oral Toxicity | II | 0.7195 |
| Carcinogenicity (Three-class) | Non-required | 0.5396 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -3.5925 | LogS |
| Caco-2 Permeability | 1.0120 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 3.7088 | LD50, mol/kg |
| Fish Toxicity | 1.5208 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.4533 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Barley | Britain | 0.02mg/kg | |||
| Rye | Britain | 0.02mg/kg | |||
| Wheat | Britain | 0.02mg/kg | |||
| Hop | Britain | 0.02mg/kg | |||
| Tea | Britain | 0.02mg/kg | |||
| Milk | CAC | 0.01mg/kg | |||
| Kidney | 1014040 | European Union | 0.01* | 27/04/2017 | |
| FRUITS, FRESH or FROZEN; TREE NUTS | 0100000 | European Union | 0.01* | 27/04/2017 | |
| Citrus fruits | 0110000 | European Union | 0.01* | 27/04/2017 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 0.01* | 27/04/2017 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 0.01* | 27/04/2017 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 0.01* | 27/04/2017 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 0.01* | 27/04/2017 | |
| Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,) | 0110050 | European Union | 0.01* | 27/04/2017 | |
| Others (2) | 0110990 | European Union | 0.01* | 27/04/2017 | |
| Tree nuts | 0120000 | European Union | 0.01* | 27/04/2017 | |
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 0.01* | 27/04/2017 | |
| Brazil nuts | 0120020 | European Union | 0.01* | 27/04/2017 | |
| Cashew nuts | 0120030 | European Union | 0.01* | 27/04/2017 | |
| Chestnuts | 0120040 | European Union | 0.01* | 27/04/2017 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Preparation and application of chlorpyrifos molecularly imprinted solid-phasemicroextraction probes for the residual determination of organophosphorouspesticides in fresh and dry foods. | J Sep Sci | 2018 Jun 7 | 29878613 |
| A simple and sensitive competitive bio-barcode immunoassay for triazophos basedon multi-modified gold nanoparticles and fluorescent signal amplification. | Anal Chim Acta | 2018 Jan 25 | 29254562 |
| Evaluation of Matrix Effects in Multiresidue Analysis of Pesticide Residues inVegetables and Spices by LC-MS/MS. | J AOAC Int | 2017 May 1 | 28300025 |
| Multi-residue detection of pesticides using a sensitive immunochip assay based onnanogold enhancement. | Anal Chim Acta | 2016 Sep 28 | 27619097 |
| A Competitive Bio-Barcode Amplification Immunoassay for Small Molecules Based on Nanoparticles. | Sci Rep | 2016 Dec 7 | 27924952 |
| Monitoring and distribution patterns of pesticide residues in soil fromcotton/wheat fields of Pakistan. | Environ Monit Assess | 2016 Dec | 27889893 |
| Dissipation of deltamethrin, triazophos, and endosulfan in ready mix formulationsin tomato (Lycopersicon esculentum L.) and Egg plant (Solanum melongena L.). | Environ Sci Pollut Res Int | 2015 Sep | 25966882 |
| Rapid biodegradation of organophosphorus pesticides by Stenotrophomonas sp. G1. | J Hazard Mater | 2015 Oct 30 | 25938642 |
| Dissipation pattern and risk assessment studies of triazophos residues oncapsicum (Capsicum annuum L.) using GLC-FPD and GC-MS. | Environ Monit Assess | 2015 Oct | 26391491 |
| Transfer rates of 19 typical pesticides and the relationship with theirphysicochemical property. | J Agric Food Chem | 2015 Jan 21 | 25537114 |
| Insecticide residues in soil, water, and eggplant fruits and farmers' healtheffects due to exposure to pesticides. | Environ Health Prev Med | 2015 Jan | 25413584 |
| Resistance to Conventional and New Insecticides in House Flies (Diptera:Muscidae) From Poultry Facilities in Punjab, Pakistan. | J Econ Entomol | 2015 Apr | 26470195 |
| [Comparison and anylisis on national quality control examination results ofpesticides residues in food in 2009 and 2011]. | Wei Sheng Yan Jiu | 2013 Sep | 24218888 |
| Detoxification of pesticides aqueous solution using horseradish peroxidase. | Pak J Biol Sci | 2013 Mar 15 | 24498792 |
| Pesticide residues in vegetable samples from the Andaman Islands, India. | Environ Monit Assess | 2013 Jul | 23208759 |
| Enhanced competitive chemiluminescent enzyme immunoassay for the trace detection of insecticide triazophos. | J Food Sci | 2012 May | 22490114 |
| [Quality control examination on testing pesticides residues in food for agencies in charge of food safety risk monitoring and inspection]. | Wei Sheng Yan Jiu | 2012 May | 23050443 |
| Development of a solid-phase extraction coupling chemiluminescent enzymeimmunoassay for determination of organophosphorus pesticides in environmentalwater samples. | J Agric Food Chem | 2012 Mar 7 | 22329773 |
| Development of a broad-specificity monoclonal antibody-based immunoaffinitychromatography cleanup for organophosphorus pesticide determination inenvironmental samples. | J Agric Food Chem | 2012 Jun 13 | 22612520 |
| [Analysis of 112 pesticide residues in vegetables using dispersive-solid phaseextraction and gas chromatography-triple quadrupole mass spectrometry]. | Se Pu | 2012 Jun | 23016295 |