S-Acetyl-PEG3-azide - ≥98% , CAS No.1310827-26-9

CAS: 1310827-26-9 Cat. No.: S595119 Molecular Weight: 277.34

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

S-Acetyl-PEG3-azide is a PEG derivative containing an azide group and a sulfur acetyl group. The azide group enables Click Chemistry. The hydrophilic PEG spacer increases solubility 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)SCCOCCOCCOCCN=[N+]=[N-]
• IUPAC Name: S-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl] ethanethioate
• InChIKey: PIXCCFAIMVRUDJ-UHFFFAOYSA-N
• INCHI: 1S/C10H19N3O4S/c1-10(14)18-9-8-17-7-6-16-5-4-15-3-2-12-13-11/h2-9H2,1H3
• Isomeric SMILES: CC(=O)SCCOCCOCCOCCN=[N+]=[N-]
• Molecular Weight: 277.34
• Reaxy-Rn: 22213103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22213103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Thioesters Carbothioic S-esters Azo compounds Sulfenyl compounds Dialkyl ethers Carboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbothioic s-ester - Thiocarboxylic acid ester - Azo imide - Azo compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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: 277.340 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 277.11 Da
• Monoisotopic Mass: 277.11 Da
• Topological Polar Surface Area: 84.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 260.000
• 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