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

CAS: 919-86-8 Cat. No.: D114167 分子式: C₆H₁₅O₃PS₂ 分子量: 230.29 Beilstein Registry Number: 1707311 EC番号: 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

同義語

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-

仕様と純度

analytical standard

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CCSCCSP(=O)(OC)OC

WGKドイツ

2

UN番号

3018

包装グループ

I

分子量

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
    • 分類 Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• 分類: 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
• 説明: 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)

Discover Target: ACHE

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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関連ターゲット（非人間）

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

Discover Target: Nfe2l2

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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 2 °C
• 引火点（°C）: 2°C
• 分子量: 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