SulfoxFluor - ≥98% , CAS No.2143892-50-4

CAS: 2143892-50-4 Cat. No.: S651943 Formule: C₁₃H₁₁ClFNO₃S₂ Poids moléculaire: 347.8 Numéro CE: 112-474-7 PubChem CID: 139593269

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

SulfoxFluor is a novel deoxyfluorination reagent. SulfoxFluor is shelf-stable, easy-to-handle, fluorine-economical, and highly selective.

Form:Solid

Specifications

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

SulfoxFluor is a novel deoxyfluorination reagent. SulfoxFluor is shelf-stable, easy-to-handle, fluorine-economical, and highly selective.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C2=CC=C(C=C2)Cl)F
• IUPAC Name: N-[(4-chlorophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
• InChIKey: ZKSTYVIGFNZFRW-UHFFFAOYSA-N
• INCHI: 1S/C13H11ClFNO3S2/c1-10-2-6-13(7-3-10)21(18,19)16-20(15,17)12-8-4-11(14)5-9-12/h2-9H,1H3
• PubChem CID: 139593269
• Poids moléculaire: 347.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids and derivatives Organochlorides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Toluene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (287.51 mM; Need ultrasonic)
• Poids moléculaire: 347.800 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 346.985 Da
• Monoisotopic Mass: 346.985 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 565.000
• 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