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

CAS: 405-18-5 Cat. No.: P467275 Molecular Weight: 186.2 EC Number: 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

Overview

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

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504763693
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763693
• Canonical Smiles: 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+
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/S(=O)(=O)F
• PubChem CID: 5357730
• UN Number: 3261
• Molecular Weight: 186.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 93-98℃
• Molecular Weight: 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