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

CAS: 14970-87-7 Cat. No.: D154345 Formula: C₆H₁₄O₂S₂ Molecular Weight: 182.3 EC Number: 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

Overview

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

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

Specifications & Purity

≥97%(GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

Pubchem Sid

488186276

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186276

Canonical Smiles

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

Isomeric SMILES

C(COCCS)OCCS

Molecular Weight

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
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water; Soluble in Ether,Alcohol,Toluene
• Sensitivity: sensitive
• Refractive Index: 1.5
• Flash Point(°C): 132°C
• Boil Point(°C): 86°C
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14970-87-7, the molecular formula is C6H14O2S2, and the molecular weight is 182.3 g/mol. InChIKey HCZMHWVFVZAHCR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.