3,6-Dioxa-1,8-octanedithiol - ≥97%(GC) , CAS No.14970-87-7

CAS: 14970-87-7 Cat. No.: D154345 Peso molecular: 182.3 Número EC: 239-044-2

GRADE & PURITY ≥97%(GC)

Synonyms

Triglycol dimercaptan | Triethyleneglycol dimercaptan | 2,2'-(Ethylenedioxy)diethanethiol | 1,8-Dimercapto-3,6-dioxaoctane | 1,2-Bis(2-mercaptoethoxy)ethane | 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

3,6-dioxa-1,8-octanedithiol (DODT) was used for cleaving peptides in the study to develop synthetic peptide serology to treat chronic chagas disease. DODT may be used to develop non-malodorous scavenger in Fmoc-based peptide synthesis.

description：

3,6-dioxa-1,8-octanedithiol is non volatile in nature.

2,2′-(Ethylenedioxy)diethanethiol (EDT) is a dithiol based cross-linker that can be used for thiolene photopolymerization and to obtain crosslinked polymeric films.

Specifications

Sinónimos

Triglycol dimercaptan | Triethyleneglycol dimercaptan | 2, 2'-(Ethylenedioxy)diethanethiol | 1, 8-Dimercapto-3, 6-dioxaoctane | 1, 2-Bis(2-mercaptoethoxy)ethane | 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488186276
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186276
• Sonrisas canónicas: C(COCCS)OCCS
• IUPAC Name: 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
• InChIKey: HCZMHWVFVZAHCR-UHFFFAOYSA-N
• INCHI: 1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2
• Isómeros SMILES: C(COCCS)OCCS
• Peso molecular: 182.3
• Reaxy-Rn: 1901671
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901671&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Alkylthiols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water; Soluble in Ether,Alcohol,Toluene
• Sensibilidad: sensitive
• Índice de refracción: 1.5
• Punto de inflamación (°C): 132°C
• Punto de ebullición (°C): 86°C
• Peso molecular: 182.300 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 182.044 Da
• Monoisotopic Mass: 182.044 Da
• Topological Polar Surface Area: 20.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 53.700
• 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

Referencias

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