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

CAS: 15205-66-0 Cat. No.: H157188 Formule: C₃H₈O₃S Poids moléculaire: 124.15 Beilstein Registry Number: 1(4)2429 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488186285

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186285

Sourires canoniques

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

Isomères SMILES

CS(=O)(=O)CCO

Poids moléculaire

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
    • Classe Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water.Chloroform (Slightly), Ethyl Acetate (Slightly)
• Indice de réfraction: 1.4790
• Point d'éclair (°F): 230°F
• Point d'éclair (°C): >110℃
• Point d'ébullition (°C): 148-149℃/1mm
• Point de fusion (°C): 27-30℃
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 15205-66-0, the molecular formula is C3H8O3S, and the molecular weight is 124.15 g/mol. InChIKey KFTYFTKODBWKOU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.