Methyl vinyl sulfone - ≥96% , CAS No.3680-02-2

CAS: 3680-02-2 Cat. No.: M169945 Molecular Weight: 106.14 EC Number: 222-958-0

GRADE & PURITY ≥96%

Synonyms

Methylvinylsulfone | methanesulfonylethene | Methanesulfonyl-ethene | Methyl vinyl sulphone | methylsulfonylethene | vinyl methyl sulfone | URI 718 | 1-methylsulfonylethene

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Methyl vinyl sulfone is used in a Heck vinylation of aryl halides. It s a useful synthetic intermediate.Used as a derivatization reagent in an improved method for detection of pseudouridine in nucleoside mixtures by capillary HPLC-mass spectrometry. Additionally, it is used in the preparation of methylsulfonylethyl cellulose via Michael addition to cotton fabric.

Specifications

Synonyms

Methylvinylsulfone | methanesulfonylethene | Methanesulfonyl-ethene | Methyl vinyl sulphone | methylsulfonylethene | vinyl methyl sulfone | URI 718 | 1-methylsulfonylethene

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504752934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752934
• Canonical Smiles: CS(=O)(=O)C=C
• IUPAC Name: 1-methylsulfonylethene
• InChIKey: WUIJTQZXUURFQU-UHFFFAOYSA-N
• INCHI: 1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3
• Isomeric SMILES: CS(=O)(=O)C=C
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 106.14
• Reaxy-Rn: 878198
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878198&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.463
• Boil Point(°C): 115-117 °C
• Molecular Weight: 106.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 106.009 Da
• Monoisotopic Mass: 106.009 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 125.000
• 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

References

1. Chen Bo, Liang Deshen, Yu Huilan, Liu Changcai, Yuan Ling, Wang Fengyun, Liu Shilei.  (2025)  A sensitive method for simultaneous screening exposure to 14 alkylating agents based on tripeptide adducts: an efficient approach for chemical weapon verification and chemical impurity profiling in plasma samples.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:40240629] [10.1007/s00216-025-05870-8]