Edifenphos - analytical standard , CAS No.17109-49-8

CAS: 17109-49-8 Cat. No.: E114222 Fórmula: C₁₄H₁₅O₂PS₂ Peso molecular: 310.37 Beilstein Registry Number: 1988797 Número EC: 241-178-1

CALIDAD & PUREZA Analytical standard

Synonyms

Ediphenphos|EDIFENPHOS [HSDB]|Bay-hinosan|Edifenphos [ISO]|[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene|O-Ethyl S,S-diphenyl dithiophosphate|O-Ethyl-S,S-diphenyl dithiophosphate|Edifenfos|BAY 78418|Phosphorodithioic acid, O-ethyl-S,S-diphenyl ester|Edifenphos (EDDP)|Edifenphos [BSI:ISO]|O-Aethyl-S,S-diphenyl-dithiophosphat|Blastoff|Phosphorodithioic acid, O-ethyl S,S-diphenyl ester|EDDP (pesticide)|O-ETHYL S,S-DIPHENYL PHOSPHORODITHIOATE|Ediphenophos|SRA 7847|Edifenphos|O-Aethyl-S,S-diphenyl-dithiophosphat [German]|Dithiophosphorsaeure-O-aethyl-S,S-diphenylester [German]|EDDP|O-Ethyl-S,S-diphenyl phosphorodithioate|Hinosan|Dithiophosphorsaeure-O-aethyl-S,S-diphenylester|Edifenphos, BSI|(ethoxy-phenylsulfanylphosphoryl)sulfanylbenzene|ethyl bis(phenylsulfanyl)phosphinate|Phosphorodithioic acid O-ethyl S,S-diphenyl ester

Storage

Protected from light,Room temperature

Shipped In

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Especificaciones

Sinónimos

Ediphenphos | EDIFENPHOS [HSDB] | Bay-hinosan | Edifenphos [ISO] | [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene | O-Ethyl S,S-diphenyl dithiophosphate | O-Ethyl-S,S-diphenyl dithiophosphate | Edifenfos | BAY 78418 | Phosphorodithioic acid, O-ethyl-S,S-diphenyl ester | Edifenphos (EDDP) | Edifenphos [BSI:ISO] | O-Aethyl-S,S-diphenyl-d Show more

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

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Grado

Patrón analítico

Nombres e identificadores

Pubchem Sid

528771943

Sonrisas canónicas

CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2

IUPAC Name

[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene

InChIKey

AWZOLILCOUMRDG-UHFFFAOYSA-N

INCHI

1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3

Isómeros SMILES

CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2

WGK Alemania

3

RTECS

TE3850000

Número ONU

2810

Peso molecular

310.37

Beilstein

1988797

Reaxy-Rn

1988797

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1988797&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Sulfenyl compounds Organothiophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Organophosphorus fungicides

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

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Objetivos asociados (no humanos)

Pyricularia grisea (1253 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Índice de refracción: 1.61
• Punto de ebullición (°C): 154°C
• Peso molecular: 310.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 310.025 Da
• Monoisotopic Mass: 310.025 Da
• Topological Polar Surface Area: 76.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 276.000
• 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