Cadusafos - analytical standard, ≥95% , CAS No.95465-99-9

CAS: 95465-99-9 Cat. No.: C117645 Peso molecular: 270.39 Beilstein Registry Number: 8140049 Número EC: 619-129-4

GRADE & PURITY Analytical standard, ≥95%

Synonyms

Cadusafos|95465-99-9|Ebufos|Sebufos|Sebuphos|Rugby|Taredan|S,S-Di-sec-butyl O-ethyl phosphorodithioate|Cadusafos [ISO]|O-Ethyl-S,S-di-sec-butylphosphorodithioate|FMC 67825|103735-82-6|2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane|O-Ethyl-S,S-bis(

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Cadusafos | 95465-99-9 | Ebufos | Sebufos | Sebuphos | Rugby | Taredan | S, S-Di-sec-butyl O-ethyl phosphorodithioate | Cadusafos [ISO] | O-Ethyl-S, S-di-sec-butylphosphorodithioate | FMC 67825 | 103735-82-6 | 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane | O-Ethyl-S, S-bis(

Especificaciones y pureza

analytical standard, ≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCC(C)SP(=O)(OCC)SC(C)CC
• IUPAC Name: 2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane
• InChIKey: KXRPCFINVWWFHQ-UHFFFAOYSA-N
• INCHI: 1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3
• Isómeros SMILES: CCC(C)SP(=O)(OCC)SC(C)CC
• WGK Alemania: 3
• Peso molecular: 270.39
• Beilstein: 8140049
• Reaxy-Rn: 8140049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8140049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Clase Organothiophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Clase: Organothiophosphorus compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organothiophosphorus compounds
• Alternative Parents: Sulfenyl compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
• Descripción: 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

Objetivos asociados (no humanos)

Meloidogyne incognita (862 Activities)

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Rattus norvegicus (775804 Activities)

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Rotylenchulus reniformis (56 Activities)

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Shoot (10 Activities)

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Root (39 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de inflamación (°C): 129°C
• Peso molecular: 270.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 270.088 Da
• Monoisotopic Mass: 270.088 Da
• Topological Polar Surface Area: 76.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1