Potassium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide - ≥98%(T) , CAS No.588668-97-7

CAS: 588668-97-7 Cat. No.: P160344 Molecular Weight: 331.24 EC Number: 680-105-1 PubChem CID: 44630348

GRADE & PURITY ≥98%(T)

Synonyms

H1058 | XHXQVKHBZXYEKL-UHFFFAOYSA-N | potassium;4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide | DTXSID10659927 | POTASSIUM 4,4,5,5,6,6-HEXAFLUORO-1,1,3,3-TETRAOXO-1??,3??,2-DITHIAZINAN-2-IDE | AS-81187 | 1,1,2,2,3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

H1058 | XHXQVKHBZXYEKL-UHFFFAOYSA-N | potassium;4, 4, 5, 5, 6, 6-hexafluoro-1lambda6, 3lambda6-dithia-2-azanidacyclohexane 1, 1, 3, 3-tetraoxide | DTXSID10659927 | POTASSIUM 4, 4, 5, 5, 6, 6-HEXAFLUORO-1, 1, 3, 3-TETRAOXO-1??, 3??, 2-DITHIAZINAN-2-IDE | AS-81187 | 1, 1, 2, 2, 3

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: C1(C(S(=O)(=O)[N-]S(=O)(=O)C1(F)F)(F)F)(F)F.[K+]
• IUPAC Name: potassium;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
• InChIKey: XHXQVKHBZXYEKL-UHFFFAOYSA-N
• INCHI: 1S/C3F6NO4S2.K/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1
• Isomeric SMILES: C1(C(S(=O)(=O)[N-]S(=O)(=O)C1(F)F)(F)F)(F)F.[K+]
• PubChem CID: 44630348
• Molecular Weight: 331.24
• Reaxy-Rn: 15559409

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azacyclic compounds
      • Subclass Dithiazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azacyclic compounds
• Subclass: Dithiazinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dithiazinanes
• Alternative Parents: Organosulfonic acids and derivatives Organic metal halides Organofluorides Organic potassium salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dithiazinane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organic metal halide - Organic alkali metal salt - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic potassium salt - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dithiazinanes. These are cyclic compounds that contain a dithiazinane ring, which is a saturated heterocycle that consisting of one nitrogen atom, two sulfur atoms, and 2 carbon atoms.
• 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: Soluble in water
• Sensitivity: Hygroscopic
• Molecular Weight: 331.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 330.881 Da
• Monoisotopic Mass: 330.881 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 468.000
• 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

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