Pirimiphos-ethyl - analytical standard , CAS No.23505-41-1

CAS: 23505-41-1 Cat. No.: P114728 Fórmula: C₁₃H₂₄N₃O₃PS Peso molecular: 333.39 Beilstein Registry Number: 7141373 Número CE: 245-704-0

GRADE & PURITY Analytical standard

Synonyms

Pirimiphos-ethyl|23505-41-1|Pirimiphos ethyl|Primicid|Pirimifosethyl|Primotec|Fernex|Solgard|Ethyl pirimiphos|R 42211|Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl ester|DTXSID5042297|2-Diethylamino-6-methylpyrimidin-4-yl d

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Pirimiphos-ethyl | 23505-41-1 | Pirimiphos ethyl | Primicid | Pirimifosethyl | Primotec | Fernex | Solgard | Ethyl pirimiphos | R 42211 | Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl ester | DTXSID5042297 | 2-Diethylamino-6-methylpyrimidin-4-yl d

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Padrão analítico

Tipo de ação

INHIBITOR

Nomes e identificadores

Pubchem Sid

504753483

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753483

Sorrisos canónicos

CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C

IUPAC Name

4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine

InChIKey

TZBPRYIIJAJUOY-UHFFFAOYSA-N

INCHI

1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3

SMILES isoméricas

CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C

WGK Alemanha

3

RTECS

TF1610000

Número UN

3018

Grupo de embalagem

I

Peso molecular

333.39

Beilstein

7141373

Reaxy-Rn

7141373

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7141373&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Level5 Aryl thiophosphates
          • Level6 Pyrimidinyl phosphorothioates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Aryl thiophosphates
• Direct Parent: Pyrimidinyl phosphorothioates
• Alternative Parents: Thiophosphate triesters Dialkylarylamines Aminopyrimidines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinyl phosphorothioate - Dialkylarylamine - Thiophosphate triester - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyrimidinyl phosphorothioates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where R= pyrimidine, R' = organyl group , and R\" = any atom.
• 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

Alvos associados (humanos)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, soluble in most organic solvents.
• Peso molecular: 333.390 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 333.128 Da
• Monoisotopic Mass: 333.128 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 335.000
• 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