Propargyl-PEG1-SS-alcohol - ≥98% , CAS No.1391914-41-2

CAS: 1391914-41-2 Cat. No.: P595869 Molecular Weight: 192.3 PubChem CID: 91757790

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Propargyl-PEG1-SS-alcohol is a Click Chemistry-ready crosslinker containing a propargyl group, a hydroxyl group and a cleavable disulfide bond. The propargyl groups can be reacted with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield stable triazole linkages. The hydroxyl group enables further derivatization or replacement with other reactive functional groups.

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: C#CCOCCSSCCO
• IUPAC Name: 2-(2-prop-2-ynoxyethyldisulfanyl)ethanol
• InChIKey: WFZUBJGVOIBKLI-UHFFFAOYSA-N
• INCHI: 1S/C7H12O2S2/c1-2-4-9-5-7-11-10-6-3-8/h1,8H,3-7H2
• Isomeric SMILES: C#CCOCCSSCCO
• PubChem CID: 91757790
• Molecular Weight: 192.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Organic disulfides
      • Subclass Dialkyldisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Organic disulfides
• Subclass: Dialkyldisulfides
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyldisulfides
• Alternative Parents: Sulfenyl compounds Dialkyl ethers Acetylides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyldisulfide - Acetylide - Sulfenyl compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups.
• 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: 192.300 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 192.028 Da
• Monoisotopic Mass: 192.028 Da
• Topological Polar Surface Area: 80.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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