2-Phenylethenesulfonyl fluoride - ≥95% , CAS No.405-18-5

CAS: 405-18-5 Cat. No.: P467275 Peso molecular: 186.2 Número EC: 809-364-2 PubChem CID: 5357730

GRADE & PURITY ≥95%

Synonyms

DTXSID50418292 | ES-2195 | 2-Phenylethenesulfonyl fluoride, 95% | 1819971-27-1 | Z1999520401 | 2-phenylethene-1-sulfonyl fluoride | CCG-40560 | EN300-1590309 | (E)-2-phenylethenesulfonyl fluoride | NSC85554 | NSC-85554 | SCHEMBL24696002 | (E)-2-phenylethe

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

Sulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.

Specifications

Sinónimos

DTXSID50418292 | ES-2195 | 2-Phenylethenesulfonyl fluoride, 95% | 1819971-27-1 | Z1999520401 | 2-phenylethene-1-sulfonyl fluoride | CCG-40560 | EN300-1590309 | (E)-2-phenylethenesulfonyl fluoride | NSC85554 | NSC-85554 | SCHEMBL24696002 | (E)-2-phenylethe

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504763693
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763693
• Sonrisas canónicas: C1=CC=C(C=C1)C=CS(=O)(=O)F
• IUPAC Name: (E)-2-phenylethenesulfonyl fluoride
• InChIKey: VDCNEIUADPFQPG-VOTSOKGWSA-N
• INCHI: 1S/C8H7FO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
• Isómeros SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)F
• PubChem CID: 5357730
• Número ONU: 3261
• Peso molecular: 186.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Sulfonyl - Sulfonyl halide - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus epidermidis (22802 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de fusión (°C): 93-98℃
• Peso molecular: 186.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.015 Da
• Monoisotopic Mass: 186.015 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 245.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1