Disulfoton-sulfone Standard - 1000ug/ml in Acetone , CAS No.2497-06-5

CAS: 2497-06-5 Cat. No.: D128245 Molecular Weight: 306.4 Beilstein Registry Number: 1713538 EC Number: 620-990-3

GRADE & PURITY 1000ug/ml in Acetone

Synonyms

Disulfoton-sulfone 10 microg/mL in Cyclohexane | Phosphorodithioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester | 9A9M9083NL | DISULFOTON SULFONE | Disulfoton-sulfone | Phosphorodithioic acid, O,O-diethyl ester S-[2-(ethylsulfonyl)ethyl] ester | DTX

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pesticides Single Component Standards

Specifications

Synonyms

Disulfoton-sulfone 10 microg/mL in Cyclohexane | Phosphorodithioic acid, O, O-diethyl S-[2-(ethylsulfonyl)ethyl] ester | 9A9M9083NL | DISULFOTON SULFONE | Disulfoton-sulfone | Phosphorodithioic acid, O, O-diethyl ester S-[2-(ethylsulfonyl)ethyl] ester | DTX

Specifications & Purity

1000ug/ml in Acetone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCOP(=S)(OCC)SCCS(=O)(=O)CC
• IUPAC Name: diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-λ5-phosphane
• InChIKey: BKVJOVPVLOJPKJ-UHFFFAOYSA-N
• INCHI: 1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
• Isomeric SMILES: CCOP(=S)(OCC)SCCS(=O)(=O)CC
• WGK Germany: 3
• RTECS: TD8925000
• Molecular Weight: 306.4
• Beilstein: 1713538
• Reaxy-Rn: 1713538
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1713538&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 306.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 306.018 Da
• Monoisotopic Mass: 306.018 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 313.000
• 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