Triethylsulfonium Bis(trifluoromethanesulfonyl)imide - ≥98% , CAS No.321746-49-0

CAS: 321746-49-0 Cat. No.: T161643 Molecular Weight: 399.38 EC Number: 628-992-6 PubChem CID: 16211135

GRADE & PURITY ≥98%

Synonyms

T2314 | DTXCID4027864 | UNII-BQ6SR432FE | Triethylsulfonium Bis(trifluoromethanesulfonyl)imide | Triethylsulphonium bis(trifluoromethylsulphonyl)Imide, for electrochemistry | DTXSID4047888 | Triethylsulfonium bis(trifluoromethylsulfonyl)imide | Tox21_2005

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Symmetric and aliphatic trialkylsulfonium cations form room temperature molten salts with bis(trifluoromethylsulfonyl)imide.

Specifications

Synonyms

T2314 | DTXCID4027864 | UNII-BQ6SR432FE | Triethylsulfonium Bis(trifluoromethanesulfonyl)imide | Triethylsulphonium bis(trifluoromethylsulphonyl)Imide, for electrochemistry | DTXSID4047888 | Triethylsulfonium bis(trifluoromethylsulfonyl)imide | Tox21_2005

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC[S+](CC)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• IUPAC Name: bis(trifluoromethylsulfonyl)azanide;triethylsulfanium
• InChIKey: BLODSRKENWXTLO-UHFFFAOYSA-N
• INCHI: 1S/C6H15S.C2F6NO4S2/c1-4-7(5-2)6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H2,1-3H3;/q+1;-1
• Isomeric SMILES: CC[S+](CC)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• WGK Germany: 3
• PubChem CID: 16211135
• Molecular Weight: 399.38
• Reaxy-Rn: 10740827

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids and derivatives
• Alternative Parents: Sulfonyls Trihalomethanes Organofluorides Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Not available
• Substituents: Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl, aryl; X=any heteroatom).
• 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

• Solubility: Insoluble in water
• Sensitivity: Moisture sensitive，Air sensitive
• Refractive Index: 1.43
• Molecular Weight: 399.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 399.007 Da
• Monoisotopic Mass: 399.007 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 399.000
• 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: 2

XLogP3