Phorat-sulfone - ≥98% , CAS No.2588-04-7

CAS: 2588-04-7 Cat. No.: P493763 Fórmula: C₇H₁₇O₄PS₃ Peso molecular: 292.38 Beilstein Registry Number: 2506019 Número EC: 634-800-1 PubChem CID: 17425

GRADE & PURITY ≥98%

Synonyms

PHORATE SULPHONE | R20VQB36US | Caswell No. 849B | Phorate-sulfone 1000 microg/mL in Acetone | diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane | 4-01-00-03090 (Beilstein Handbook Reference) | AKOS015898766 | SCHEMBL1713135 | CL 18,1

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

PHORATE SULPHONE | R20VQB36US | Caswell No. 849B | Phorate-sulfone 1000 microg/mL in Acetone | diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane | 4-01-00-03090 (Beilstein Handbook Reference) | AKOS015898766 | SCHEMBL1713135 | CL 18,1

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CCOP(=S)(OCC)SCS(=O)(=O)CC

IUPAC Name

diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-λ5-phosphane

InChIKey

YVPSNUIHHFTTRL-UHFFFAOYSA-N

INCHI

1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3

Isómeros SMILES

CCOP(=S)(OCC)SCS(=O)(=O)CC

WGK Alemania

3

RTECS

TD9100000

PubChem CID

17425

Número ONU

3278

Peso molecular

292.38

Beilstein

2506019

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic dithiophosphoric acids and derivatives
      • Subclass Dithiophosphate O-esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic dithiophosphoric acids and derivatives
• Subclass: Dithiophosphate O-esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithiophosphate O-esters
• Alternative Parents: Dithiophosphate S-esters Sulfones Sulfenyl compounds Organothiophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dithiophosphate o-ester - Dithiophosphate s-ester - Sulfonyl - Sulfone - 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 dithiophosphate o-esters. These are o-ester derivatives of dithiophosphates, with the general structure RSP(O)(O)=S (R = organyl group).
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Peso molecular: 292.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 292.003 Da
• Monoisotopic Mass: 292.003 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 299.000
• 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