N-Sulfinyl-p-toluenesulfonamide - ≥70%(T) , CAS No.4104-47-6

CAS: 4104-47-6 Cat. No.: N159365 Peso molecular: 217.26

GRADE & PURITY ≥70%(T)

Synonyms

MFCD00082512 | T1461 | N-Sulfinyl-p-toluensulfonamid | N-Sulfinyl-p-toluenesulfonamide | FT-0635130 | 4-(2,4-Di-tert-pentylphenoxy)butyricacid | 4-Methyl-N-sulfinylbenzenesulfonamide # | N-Thionyl-p-toluenesulfonamide | 4-methyl-N-(oxo-$l^{4}-sulfanyliden

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MFCD00082512 | T1461 | N-Sulfinyl-p-toluensulfonamid | N-Sulfinyl-p-toluenesulfonamide | FT-0635130 | 4-(2, 4-Di-tert-pentylphenoxy)butyricacid | 4-Methyl-N-sulfinylbenzenesulfonamide # | N-Thionyl-p-toluenesulfonamide | 4-methyl-N-(oxo-$l^{4}-sulfanyliden

Especificaciones y pureza

≥70%(T)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥70%(T)

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)N=S=O
• IUPAC Name: 4-methyl-N-sulfinylbenzenesulfonamide
• InChIKey: VKTSIMMJOIPMGE-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO3S2/c1-6-2-4-7(5-3-6)13(10,11)8-12-9/h2-5H,1H3
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=S=O
• Peso molecular: 217.26
• Reaxy-Rn: 644139
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=644139&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Sulfonyls Organosulfonic acids and derivatives Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Toluene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Peso molecular: 217.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.987 Da
• Monoisotopic Mass: 216.987 Da
• Topological Polar Surface Area: 73.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 305.000
• 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