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Diethyl thiophosphate

HCID 3683036
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Grundinformationen

Standard-SMILES
CCOP([O-])(=S)OCC
InChIKey
PKUWKAXTAVNIJR-UHFFFAOYSA-M
Summenformel
C4H10O3PS-
Durchschnittliche Molmasse
169,16 g/mol
Monoisotopische Masse
169,00937539

Überblick

O,O-diethyl thiophosphate is an organic phosphorothioate anion that is the conjugate base of O,O-diethyl hydrogen thiophosphate, resulting from the deprotonation of the thiophosphate group. Major species at pH 7.3. It is a conjugate base of an O,O-diethyl hydrogen thiophosphate.

Namen und Bezeichner

Bevorzugter Name
Diethyl thiophosphate
IUPAC
diethoxy-oxido-sulfanylidene-λ5-phosphane

Namen und Synonyme

diethyl thiophosphateRefChem:920160diethylthiophosphateDETPdiethoxy-oxido-sulfanylidene-lambda5-phosphaneO,O-Diethyl thiophosphatediethylphosphorothioate(diethyl)thiophosphateDETP(1-)CHEBI:156216PKUWKAXTAVNIJR-UHFFFAOYSA-MDTXSID401352369
Weitere Namen anzeigen
STK372948AKOS005447225

Datenbank-Bezeichner

PubChem CID
3683036
DTXSID
DTXSID401352369
ChEBI
CHEBI:156216

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
73,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
9
Formalladung
-1
Komplexität
106

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Gefahrenhinweise

Regulatory InformationHazard Traits - Developmental Toxicity; Neurotoxicity

Toxikologische Informationen

Toxicity Summary · 1 Eintrag

Diethylthiophosphate (DETP) induces DNA damage only in the hepatic cell lines, and this effect could be related to a secondary non-diffusible metabolite generated by the activity of P450 enzymes since P450 enzyme inhibitors also inhibited the induction of DNA damage in hepatic cells. This organophosphorous (OP) metabolite has shown some toxicity in human peripheral blood mononucleated cells (PBMC). DETP is a cytotoxic compound in human PBMC. A relationship between urinary levels of DETP and the number of sperm susceptible to chromatin alteration has been reported among rural agricultural workers. In addition, a correlation between the frequency of aneuploidy in sperm and the levels of DETP in urine was identified in a rural population exposed to OP pesticides, indicating that the potential for genotoxicity following OP exposure may depend on the type and quantity of specific metabolites produced, such as DETP. (A15411)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure.

Verwendung und Herstellung

UsesThis is a natural compound that is used as a pesticide.

Zugehörige Reaktionen

4
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 611798
HRID 611798als Produktuspto-grants-1999_12
Reaktionsgleichung von HRID 816068
HRID 816068als ProduktTest data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 935103
HRID 935103als EduktValidation data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 1816183
HRID 1816183als Eduktuspto-grants-2005_04

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