Demeton S - analytical standard , CAS No.126-75-0

CAS: 126-75-0 Cat. No.: D115073 Summenformel: C₈H₁₉O₃PS₂ Molekulargewicht: 258.34 EG-Nummer: 204-801-8

GRADE & PURITY Analytical standard

Synonyms

Demeton o,s | GRPRVIYRYGLIJU-UHFFFAOYSA-N | NCGC00257793-01 | O,O-Diethyl S-ethyl-2-ethylmercaptophosphorothiolate | Thioldemeton | NCGC00357287-01 | Thiol systox | ISOSYSTOX | SCHEMBL117918 | 3UQ7N6O63K | O,O-Diethyl S-[2-(ethylthio)ethyl] thiophosphate

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Demeton-S is an inhibitor of colinesterase as well as an insecticide.
An inhibitor of colinesterase and an insecticide.

Specifications

Synonyme

Demeton o,s | GRPRVIYRYGLIJU-UHFFFAOYSA-N | NCGC00257793-01 | O,O-Diethyl S-ethyl-2-ethylmercaptophosphorothiolate | Thioldemeton | NCGC00357287-01 | Thiol systox | ISOSYSTOX | SCHEMBL117918 | 3UQ7N6O63K | O,O-Diethyl S-[2-(ethylthio)ethyl] thiophosphate

Spezifikationen & Reinheit

analytical standard

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528770111
• Kanonisches Lächeln: CCOP(=O)(OCC)SCCSCC
• IUPAC Name: 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
• InChIKey: GRPRVIYRYGLIJU-UHFFFAOYSA-N
• INCHI: 1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
• Isomere SMILES: CCOP(=O)(OCC)SCCSCC
• UN-Nummer: 3017
• Molekulargewicht: 258.34
• Reaxy-Rn: 1709166
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1709166&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Klasse Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Klasse: Organothiophosphorus compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organothiophosphorus compounds
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Thioether - Organothiophosphorus compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organothiophosphorus compounds. These are organic derivatives of thiophosphonic acid, thiophosphoric acid, dithiophosphoric acid, or phosphorotrithioic acid, or derivatives thereof. Thiophosphonic acid, dithiophosphoric acid, thiophosphoric acid, and phosphorotrithioic acid are thiophosphorus compounds with the formula OP(O)(=S), OP(S)(=S)O, OP(O)(=S)O, and OP(=S)(S)S, respectively.
• External Descriptors: Organophosphorus insecticides

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

Zugehörige Ziele (menschlich)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Ethanol, Propylene Glycol, and Toluene
• Molekulargewicht: 258.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 258.051 Da
• Monoisotopic Mass: 258.051 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 168.000
• 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: 1