Demeton-S-methyl - analytical standard , CAS No.919-86-8

CAS: 919-86-8 Cat. No.: D114167 Summenformel: C₆H₁₅O₃PS₂ Molekulargewicht: 230.29 Beilstein Registry Number: 1707311 EG-Nummer: 213-052-6

GRADE & PURITY Analytical standard

Synonyms

Duratox | Methyl demeton thioester | Demeton-S-methyl [BSI:ISO] | HSDB 6410 | O,O-Dimethyl 2-ethylmercaptoethyl thiophosphate, thiolo isomer | DEMETON-S-METHYL | DEMETON-S-METHYL [MI] | O,O-dimethyl S-[2-(ethylthio)ethyl]thiophosphate | O,O-Dimethyl-S-(2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Duratox | Methyl demeton thioester | Demeton-S-methyl [BSI:ISO] | HSDB 6410 | O,O-Dimethyl 2-ethylmercaptoethyl thiophosphate, thiolo isomer | DEMETON-S-METHYL | DEMETON-S-METHYL [MI] | O,O-dimethyl S-[2-(ethylthio)ethyl]thiophosphate | O,O-Dimethyl-S-(2-

Spezifikationen & Reinheit

analytical standard

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Analytischer Standard

Namen und Kennungen

• Kanonisches Lächeln: CCSCCSP(=O)(OC)OC
• IUPAC Name: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane
• InChIKey: WEBQKRLKWNIYKK-UHFFFAOYSA-N
• INCHI: 1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
• Isomere SMILES: CCSCCSP(=O)(OC)OC
• WGK Deutschland: 2
• UN-Nummer: 3018
• Verpackungsgruppe: I
• Molekulargewicht: 230.29
• Beilstein: 1707311
• Reaxy-Rn: 1707311
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707311&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

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 2 °C
• Flammpunkt (°C): 2°C
• Molekulargewicht: 230.300 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 230.02 Da
• Monoisotopic Mass: 230.02 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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