1,2-Ethanedithiol - ≥97% , CAS No.540-63-6

CAS: 540-63-6 Cat. No.: E106222 Formula: C₂H₆S₂ Molecular Weight: 94.19 Beilstein Registry Number: 505946 EC Number: 208-752-3

GRADE & PURITY ≥97%

Synonyms

1,2-Dimercaptoethane | Ethylene mercaptan | Dithioglycol

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

1,2-Ethanedithiol (EDT) is an organosulfur compound that is used as an organic building block in chemical synthesis. It is also used as a ligand for metal ions to prepare metal complexes. 

Application：
1,2-Ethanedithiol can be used to synthesize:
1,3-Dithiolanes by reacting with aldehydes or ketones.
Dithiazepan-3-yl-alkanoic acids by cyclocondensation reaction with amino acids and formaldehyde.
EDT can also be used as a scavenger in solid phase peptide synthesis for the efficient deprotection of the peptide resin.

Specifications

Synonyms

1,2-Dimercaptoethane | Ethylene mercaptan | Dithioglycol

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

1,2-Ethanedithiol is a metal complexing agent. It is a reagent for converting carbonyls to thioacetals under mild conditions, as well as reverses the inhibition of alphaketoaldehydes on mitosis in E. coli.

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥97%

Product Line

E106222-25g

Names and Identifiers

Pubchem Sid

504752025

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752025

Canonical Smiles

C(CS)S

IUPAC Name

ethane-1,2-dithiol

InChIKey

VYMPLPIFKRHAAC-UHFFFAOYSA-N

INCHI

1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2

Isomeric SMILES

C(CS)S

WGK Germany

3

RTECS

KI3325000

UN Number

3071

Molecular Weight

94.19

Beilstein

505946

Reaxy-Rn

505946

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505946&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• 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: Soluble in ethanol, acetone, ether, and benzene. Insoluble in water.
• Sensitivity: Air Sensitive
• Refractive Index: 1.559
• Flash Point(°F): 111.2 °F
• Flash Point(°C): 44℃
• Boil Point(°C): 146°C
• Melt Point(°C): -41.2°C
• Molecular Weight: 94.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 93.9911 Da
• Monoisotopic Mass: 93.9911 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 6.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 540-63-6, the molecular formula is C2H6S2, and the molecular weight is 94.19 g/mol. InChIKey VYMPLPIFKRHAAC-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.