(11-Mercaptoundecyl)hexa(ethylene glycol) - ≥95% , CAS No.130727-44-5

CAS: 130727-44-5 Cat. No.: M466864 Molecular Weight: 468.69

GRADE & PURITY ≥95%

Synonyms

HY-138517 | 29-Mercapto-3,6,9,12,15,18-hexaoxanonacosan-1-ol | DTXSID10584861 | 2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | 3,6,9,12,15,18-Hexaoxanonacosan-1-ol, 29-mercapto- | hexaethylene glycol 11-mercaptoundecyl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Thiol-C9-PEG7 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.

Specifications

Synonyms

HY-138517 | 29-Mercapto-3, 6, 9, 12, 15, 18-hexaoxanonacosan-1-ol | DTXSID10584861 | 2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | 3, 6, 9, 12, 15, 18-Hexaoxanonacosan-1-ol, 29-mercapto- | hexaethylene glycol 11-mercaptoundecyl

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(CCCCCOCCOCCOCCOCCOCCOCCO)CCCCCS
• IUPAC Name: 2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• InChIKey: QYKSUHRPPSCIFK-UHFFFAOYSA-N
• INCHI: 1S/C23H48O7S/c24-10-12-26-14-16-28-18-20-30-22-21-29-19-17-27-15-13-25-11-8-6-4-2-1-3-5-7-9-23-31/h24,31H,1-23H2
• Isomeric SMILES: C(CCCCCOCCOCCOCCOCCOCCOCCO)CCCCCS
• Molecular Weight: 468.69
• Reaxy-Rn: 4260610
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4260610&ln=

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: Alkylthiols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Alkylthiol - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - 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

• Sensitivity: light & Moisture sensitive
• Refractive Index: n20/D 1.474
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 468.700 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 28
• Exact Mass: 468.312 Da
• Monoisotopic Mass: 468.312 Da
• Topological Polar Surface Area: 76.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 312.000
• 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