Acephate - analytical standard, ≥99% , CAS No.30560-19-1

CAS: 30560-19-1 Cat. No.: A109744 Peso molecular: 183.17 Beilstein Registry Number: 1936365 Número EC: 250-241-2

GRADE & PURITY Analytical standard, ≥99%

Synonyms

Acetamidophos | NCGC00254778-01 | KBio1_001560 | o,S-Dimethyl acetylamidothiophosphate | UNII-3Y417O444D | AKOS006227880 | Chevron RE 12,420 | MFCD00055361 | O,S-Dimethyl acetylphosphoramidothioate | O,S-dimethyl acetylphosphoroamidothioate | Phosphoramid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Acetamidophos | NCGC00254778-01 | KBio1_001560 | o, S-Dimethyl acetylamidothiophosphate | UNII-3Y417O444D | AKOS006227880 | Chevron RE 12, 420 | MFCD00055361 | O, S-Dimethyl acetylphosphoramidothioate | O, S-dimethyl acetylphosphoroamidothioate | Phosphoramid

Especificaciones y pureza

analytical standard, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NP(=O)(OC)SC
• IUPAC Name: N-[methoxy(methylsulfanyl)phosphoryl]acetamide
• InChIKey: YASYVMFAVPKPKE-UHFFFAOYSA-N
• INCHI: 1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
• Isómeros SMILES: CC(=O)NP(=O)(OC)SC
• WGK Alemania: 2
• Número ONU: 3018
• Grupo de embalaje: I
• Peso molecular: 183.17
• Beilstein: 1936365
• Reaxy-Rn: 1936365
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1936365&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 Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfenyl compound - Organothiophosphorus compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen 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: Phosphoramido 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 (humanos)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 2 °C
• Punto de inflamación (°C): 2°C
• Peso molecular: 183.170 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.012 Da
• Monoisotopic Mass: 183.012 Da
• Topological Polar Surface Area: 80.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 172.000
• 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

Referencias

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