O,O-Diethyl thiophosphate potassium salt - ≥98% , CAS No.5871-17-0

CAS: 5871-17-0 Cat. No.: D113389 Molecular Weight: 208.26 EC Number: 627-567-2

GRADE & PURITY ≥98%

Synonyms

Potassium O,O-diethylthiophosphate | SCHEMBL844972 | gamma-Hexalactone, natural, 97%, FG | CAS-705-86-2 | potassiumO,O-diethylphosphorothioate | E78237 | Potassium phosphorothioic acid O,O-diethyl ester | bmse000653 | O,O-Diethyl potassium phosphorothioat

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Potassium O, O-diethylthiophosphate | SCHEMBL844972 | gamma-Hexalactone, natural, 97%, FG | CAS-705-86-2 | potassiumO, O-diethylphosphorothioate | E78237 | Potassium phosphorothioic acid O, O-diethyl ester | bmse000653 | O, O-Diethyl potassium phosphorothioat

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769490
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769490
• Canonical Smiles: CCOP(=S)([O-])OCC.[K+]
• IUPAC Name: potassium;diethoxy-oxido-sulfanylidene-λ5-phosphane
• InChIKey: OVJCAYMARFNMQB-UHFFFAOYSA-M
• INCHI: 1S/C4H11O3PS.K/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);/q;+1/p-1
• Isomeric SMILES: CCOP(=S)([O-])OCC.[K+]
• WGK Germany: 3
• Molecular Weight: 208.26
• Reaxy-Rn: 1072170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophosphoric acid esters
• Alternative Parents: Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiophosphoric acid ester - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophosphoric acid esters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an organyl group.
• External Descriptors: organic thiophosphate

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 180-186°C
• Molecular Weight: 208.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 207.973 Da
• Monoisotopic Mass: 207.973 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Fubin Yang, Songrui Li, Jiutong Ma, Qiong Jia.  (2024)  Confinement of CuNCs with aZIF-8 via one-pot encapsulation: Construction of an enzyme-free sensor toward fluorescence and smartphone detection of chlorpyrifos based on the inner filter effect.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106685]