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Atomfair 2-Methyl-1,4-phenylene bis(4-((6-mercaptohexyl)oxy)benzoate) C33H40O6S2 CAS 1803269-66-0

2-Methyl-1,4-phenylene bis(4-((6-mercaptohexyl)oxy)benzoate) (CAS No. 1803269-66-0) is a high-purity, synthetic organic compound with the molecular formula C33H40O6S2. This bifunctional aromatic ester features two thiol-terminated hexyloxybenzoate moieties linked to a central 2-methyl-1,4-phenylene core, offering unique reactivity for conjugation and material modification applications. The compound’s IUPAC name is [3-methyl-4-[4-(6-sulfanylhexoxy)benzoyl]oxyphenyl] 4-(6-sulfanylhexoxy)benzoate. With a molecular weight of 596.80 g/mol, this product is supplied as a stable solid under inert conditions, ideal for controlled thiol-ene click chemistry, polymer crosslinking, or surface functionalization. Its dual thiol groups enable precise molecular engineering in photoresists, liquid crystals, or self-assembled monolayers (SAMs). Suitable for research and development in advanced materials…

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Description

2-Methyl-1,4-phenylene bis(4-((6-mercaptohexyl)oxy)benzoate) (CAS No. 1803269-66-0) is a high-purity, synthetic organic compound with the molecular formula C33H40O6S2. This bifunctional aromatic ester features two thiol-terminated hexyloxybenzoate moieties linked to a central 2-methyl-1,4-phenylene core, offering unique reactivity for conjugation and material modification applications. The compound’s IUPAC name is [3-methyl-4-[4-(6-sulfanylhexoxy)benzoyl]oxyphenyl] 4-(6-sulfanylhexoxy)benzoate. With a molecular weight of 596.80 g/mol, this product is supplied as a stable solid under inert conditions, ideal for controlled thiol-ene click chemistry, polymer crosslinking, or surface functionalization. Its dual thiol groups enable precise molecular engineering in photoresists, liquid crystals, or self-assembled monolayers (SAMs). Suitable for research and development in advanced materials science, this compound is characterized by HPLC, NMR, and mass spectrometry to ensure >95% purity.

Properties

  • CAS Number: 1803269-66-0
  • Complexity: 721
  • IUPAC Name: [3-methyl-4-[4-(6-sulfanylhexoxy)benzoyl]oxy-phenyl] 4-(6-sulfanylhexoxy)benzoate
  • InChI: InChI=1S/C33H40O6S2/c1-25-24-30(38-32(34)26-10-14-28(15-11-26)36-20-6-2-4-8-22-40)18-19-31(25)39-33(35)27-12-16-29(17-13-27)37-21-7-3-5-9-23-41/h10-19,24,40-41H,2-9,20-23H2,1H3
  • InChI Key: TWAIZMZRYUCPDF-UHFFFAOYSA-N
  • Exact Mass: 596.22663134
  • Molecular Formula: C33H40O6S2
  • Molecular Weight: 596.8
  • SMILES: CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCS)OC(=O)C3=CC=C(C=C3)OCCCCCCS
  • Topological: 73.1
  • Monoisotopic Mass: 596.22663134
  • Synonyms: 2-Methyl-1,4-phenylene bis(4-((6-mercaptohexyl)oxy)benzoate), 1803269-66-0

Application

This compound serves as a versatile linker for thiol-based bioconjugation and polymer modification. Its dual-reactive thiol groups facilitate controlled crosslinking in hydrogel formulations and photopolymer networks. Researchers utilize it for surface functionalization of gold nanoparticles or quantum dots via Au-S bonds. The aromatic ester backbone provides rigidity for liquid crystal and organic semiconductor applications.

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Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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