Vamidothion - analytical standard , CAS No.2275-23-2

CAS: 2275-23-2 Cat. No.: V114891 分子式: C₈H₁₈NO₄PS₂ 分子量: 287.34 EC番号: 218-894-8 PubChem CID: 560193

GRADE & PURITY Analytical standard

Synonyms

CCRIS 1305 | O,O-Dimethyl S-2-(1-N-methylcarbamoylethylmercapto)ethyl thiophosphate | dimethyl [(2-{[1-(methylcarbamoyl)ethyl]sulfanyl}ethyl)sulfanyl]phosphonate | H1G712H762 | 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt, >=99% (TLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

CCRIS 1305 | O,O-Dimethyl S-2-(1-N-methylcarbamoylethylmercapto)ethyl thiophosphate | dimethyl [(2-{[1-(methylcarbamoyl)ethyl]sulfanyl}ethyl)sulfanyl]phosphonate | H1G712H762 | 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt, >=99% (TLC)

仕様と純度

analytical standard

保管条件

Store at 2-8°C

入荷

Wet ice

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

CC(C(=O)NC)SCCSP(=O)(OC)OC

IUPAC Name

2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide

InChIKey

LESVOLZBIFDZGS-UHFFFAOYSA-N

INCHI

1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)

異性体SMILES

CC(C(=O)NC)SCCSP(=O)(OC)OC

WGKドイツ

2

PubChem CID

560193

UN番号

1648

分子量

287.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Sulfenyl compounds Organothiophosphorus compounds Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Organothiophosphorus compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• 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

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: 287.300 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 287.041 Da
• Monoisotopic Mass: 287.041 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 256.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1