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Atomfair 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene C19H21NOS CAS 80058-93-1

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1) is a high-purity organic compound with the molecular formula C19H21NOS . This specialized chemical features an isothiocyanate functional group attached to a diisopropyl-substituted benzene ring, further modified with a phenoxy moiety. Its unique structure makes it valuable for advanced synthetic applications, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. With a molecular weight of 311.44 g/mol, this compound exhibits excellent stability under standard conditions and is supplied as a solid or in solution, depending on customer requirements. Ideal for researchers in medicinal chemistry and organic synthesis, our product is rigorously tested to ensure ≥95% purity…

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Description

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene (CAS: 80058-93-1) is a high-purity organic compound with the molecular formula C19H21NOS. This specialized chemical features an isothiocyanate functional group attached to a diisopropyl-substituted benzene ring, further modified with a phenoxy moiety. Its unique structure makes it valuable for advanced synthetic applications, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. With a molecular weight of 311.44 g/mol, this compound exhibits excellent stability under standard conditions and is supplied as a solid or in solution, depending on customer requirements. Ideal for researchers in medicinal chemistry and organic synthesis, our product is rigorously tested to ensure ≥95% purity (HPLC) and is available in customizable quantities, from milligrams to kilograms.

Properties

  • CAS Number: 80058-93-1
  • Complexity: 365
  • IUPAC Name: 1,3-diisopropyl-2-isothiocyanato-5-phenoxy-benzene
  • InChI: InChI=1S/C19H21NOS/c1-13(2)17-10-16(21-15-8-6-5-7-9-15)11-18(14(3)4)19(17)20-12-22/h5-11,13-14H,1-4H3
  • InChI Key: ZZNJNNXQRSAGSP-UHFFFAOYSA-N
  • Exact Mass: 311.13438547
  • Molecular Formula: C19H21NOS
  • Molecular Weight: 311.4
  • SMILES: CC(C)C1=CC(=CC(=C1N=C=S)C(C)C)OC2=CC=CC=C2
  • Topological: 53.7
  • Monoisotopic Mass: 311.13438547
  • Synonyms: 80058-93-1, 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene, 4-phenoxy-2,6-diisopropylphenylisothiocyanate, 4-phenoxy-26-diisopropyl phenyl isothiocyanate, 1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene, SCHEMBL9368279, ZZNJNNXQRSAGSP-UHFFFAOYSA-N, DTXSID701199639, N-(2,6-diisopropyl-4-phenoxyphenyl)isothiocyanate

Application

This compound serves as a versatile building block in organic synthesis, particularly for the preparation of thiourea derivatives via reactions with amines. Its isothiocyanate group enables efficient conjugation with biomolecules, making it useful in bioconjugation and probe development. Researchers also employ it in the synthesis of heterocyclic compounds for pharmaceutical and agrochemical applications.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

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).

Patent & Regulatory Compliance

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

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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