Trifluoromethylsulfonyl isocyanate - ≥95% , CAS No.30227-06-6

CAS: 30227-06-6 Cat. No.: T941795 Peso molecular: 175.090

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(=NS(=O)(=O)C(F)(F)F)=O
• IUPAC Name: 1,1,1-trifluoro-N-(oxomethylidene)methanesulfonamide
• InChIKey: KDAMMLMNJOOSEG-UHFFFAOYSA-N
• INCHI: 1S/C2F3NO3S/c3-2(4,5)10(8,9)6-1-7
• Peso molecular: 175.090

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Sulfonyls
      • Subclass Sulfonyl isocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Sulfonyls
• Subclass: Sulfonyl isocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl isocyanates
• Alternative Parents: Organosulfonic acids and derivatives Trihalomethanes Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl isocyanate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Trihalomethane - Halomethane - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfonyl isocyanates. These are organosulfur compounds that contain a sulfonyl group connected to an isocyanate 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: 175.090 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 174.955 Da
• Monoisotopic Mass: 174.955 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 252.000
• 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