O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate | CAS No. 2496-91-5

O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate

Basic Information

CAS Number

2496-91-5

Molecular Formula

C8H19O5PS2

Molecular Weight

290.34 g/mol

AD

Basic Physical Properties

CCOP(=O)(OCC)SCCS(=O)(=O)CC

InChI

InChI=1S/C8H19O5PS2/c1-4-12-14(9,13-5-2)15-7-8-16(10,11)6-3/h4-8H2,1-3H3

InChIKey

VMXCTQSDRPKAOC-UHFFFAOYSA-N

LogP

2.3354

Topological Polar Surface Area

69.67 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

312

Safety Information

View Safety Information

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

  • NS00126039
  • O,O-Diethyl 2-ethylmercaptoethyl thiophosphate, thiolo isomer
  • PO systox sulfone
  • Q27294940
  • Diethyl S-(2-ethsulfonylethyl) thiophosphate
  • BRN 1713526
  • Isodemeton-sulfone
  • Demeton-S Sulfone
  • Disulfoton oxon sulfone
  • Iso-systox sulfone
  • 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane
  • VMXCTQSDRPKAOC-UHFFFAOYSA-N
  • Thiol systox sulfone
  • Z3A90H8X3A
  • 2496-91-5
  • Demeton S-sulfone
  • Phosphorothioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester
  • Disulfoton-oxon-sulfone 100 microg/mL in Acetonitrile
  • O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] thiophosphate #
  • O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate
  • AI3-24401
  • Demeton-S Sulfone-d10
  • O,O-DIETHYLPHOSPHOROTHIOIC ACID S-(2-(ETHYLSULFONYL)ETHYL) ESTER
  • UNII-Z3A90H8X3A
  • Disulfoton-oxon-sulfon
  • DTXSID6042230
  • Demeton thiol sulfone
  • O,O-Diethyl S-ethyl 2-ethylmercaptophosphorothiolate sulfone
  • diethyl {[2-(ethanesulfonyl)ethyl]sulfanyl}phosphonate
  • Disulfoton-oxon-sulfone
  • Isosystox Sulfone

MDL Number

MFCD01704932

FAQ

What are the physical and chemical properties of O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate (CAS: 2496-91-5)?

O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate (CAS: 2496-91-5) is a crystalline solid with a molecular weight of approximately 332.4 g/mol. It has a low water solubility and moderate solubility in organic solvents. The compound is reactive towards nucleophiles and can undergo hydrolysis under acidic conditions. It is stable at room temperature but should be stored in a cool, dry place away from direct sunlight.

How is O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate (CAS: 2496-91-5) typically synthesized?

O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate (CAS: 2496-91-5) is typically synthesized through a multi-step process involving the reaction of diethyl phosphite with ethyl ethylsulfonylphosphonate in the presence of a base. Commonly used bases include sodium hydride or potassium tert-butoxide. The reaction yields a product with a high degree of purity and selectivity, with a yield ranging from 70% to 85%.

What industries use O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate (CAS: 2496-91-5)?

O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate (CAS: 2496-91-5) finds application in various industries. It is used in the pharmaceutical industry for its potential as a pesticide and herbicide. In the chemical industry, it serves as a reagent in organophosphorus chemistry. Additionally, it is used in the production of sensors and in the semiconductor industry for specific applications.

What precautions should be taken when handling O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate (CAS: 2496-91-5)?

When handling O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioate (CAS: 2496-91-5), it is crucial to use appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. This compound should be mixed in a fume hood to minimize inhalation risk. Spills should be cleaned up with appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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