S-acetyl-PEG4-alcohol - ≥98% , CAS No.223611-42-5

CAS: 223611-42-5 Cat. No.: S597521 Molecular Weight: 252.3 EC Number: 811-254-4 PubChem CID: 51340999

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

S-acetyl-PEG4-alcohol is a PEG derivative containing a sulfur acetyl group which can be deprotected to form thiol groups. The hydroxyl group can undergo various reactions to further derivatize the compound. The hydrophilic PEG linker increases the water solubility of the compound in aqueous media.

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)SCCOCCOCCOCCO
• IUPAC Name: S-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] ethanethioate
• InChIKey: KKUXNAQDZRWEKI-UHFFFAOYSA-N
• INCHI: 1S/C10H20O5S/c1-10(12)16-9-8-15-7-6-14-5-4-13-3-2-11/h11H,2-9H2,1H3
• Isomeric SMILES: CC(=O)SCCOCCOCCOCCO
• PubChem CID: 51340999
• Molecular Weight: 252.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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

Chemical and Physical Properties

• Molecular Weight: 252.330 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 252.103 Da
• Monoisotopic Mass: 252.103 Da
• Topological Polar Surface Area: 90.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 165.000
• 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