2-Hydroxyethyl Methyl Sulfone - ≥98%(GC) , CAS No.15205-66-0

CAS: 15205-66-0 Cat. No.: H157188 Molecular Weight: 124.15 Beilstein Registry Number: 1(4)2429 EC Number: 239-261-2

GRADE & PURITY ≥98%(GC)

Synonyms

METHYLSULFONYL)ETHANOL, 2-( | SY049666 | Carveol, cis-(-)- | 2-Methanesulfonylethanol | 2-Methanesulfonyl-ethanol | MFCD00014747 | 2-(Methylsulphonyl)ethanol | InChI=1/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H | 2-(methanesulfonyl)ethanol | 2-methylsulfonyl eth

Storage

Room temperature

Shipped In

Normal

Overview

2-(Methylsulfonyl)ethanol may be used as reagent in the synthesis of phenols from aryl fluorides. It may be used in the preparation of 2-(methylsulfonyl)ethyl N,N-bis(2-chloroethyl)phosphorodiamidate. 2-Hydroxyethyl Methyl Sulfone, is the versatile building block used in the synthesis of more complex sulfur containing compounds. It can be used for the studies of inhibitor and substrate moieties to acetylcholinesterase.

Specifications

Synonyms

METHYLSULFONYL)ETHANOL, 2-( | SY049666 | Carveol, cis-(-)- | 2-Methanesulfonylethanol | 2-Methanesulfonyl-ethanol | MFCD00014747 | 2-(Methylsulphonyl)ethanol | InChI=1/C3H8O3S/c1-7(5, 6)3-2-4/h4H, 2-3H2, 1H | 2-(methanesulfonyl)ethanol | 2-methylsulfonyl eth

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488186285
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186285
• Canonical Smiles: CS(=O)(=O)CCO
• IUPAC Name: 2-methylsulfonylethanol
• InChIKey: KFTYFTKODBWKOU-UHFFFAOYSA-N
• INCHI: 1S/C3H8O3S/c1-7(5,6)3-2-4/h4H,2-3H2,1H3
• Isomeric SMILES: CS(=O)(=O)CCO
• Molecular Weight: 124.15
• Beilstein: 1(4)2429
• Reaxy-Rn: 1746915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746915&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: Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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

• Solubility: Soluble in water.Chloroform (Slightly), Ethyl Acetate (Slightly)
• Refractive Index: 1.4790
• Flash Point(°F): 230°F
• Flash Point(°C): >110℃
• Boil Point(°C): 148-149℃/1mm
• Melt Point(°C): 27-30℃
• Molecular Weight: 124.160 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 124.019 Da
• Monoisotopic Mass: 124.019 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 118.000
• 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. Yuxin Wang, Xingyi Huang, Tao Li, Zhongwu Wang, Liqiang Li, Xiaojun Guo, Pingkai Jiang.  (2017)  Novel crosslinkable high-k copolymer dielectrics for high-energy-density capacitors and organic field-effect transistor applications.  Journal of Materials Chemistry A,  5  (39): (20737-20746).  [PMID:] [10.1039/C7TA06005J]