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

CAS: 540-63-6 Cat. No.: E106222 Fórmula: C₂H₆S₂ Peso molecular: 94.19 Beilstein Registry Number: 505946 Número EC: 208-752-3

CALIDAD & PUREZA ≥97%

Synonyms

1,2-Dimercaptoethane | Ethylene mercaptan | Dithioglycol

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

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.

Especificaciones

Sinónimos

1,2-Dimercaptoethane | Ethylene mercaptan | Dithioglycol

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Product Line

E106222-25g

Nombres e identificadores

Pubchem Sid

504752025

Pubchem Sid Url

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

Sonrisas canónicas

C(CS)S

IUPAC Name

ethane-1,2-dithiol

InChIKey

VYMPLPIFKRHAAC-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

C(CS)S

WGK Alemania

3

RTECS

KI3325000

Número ONU

3071

Peso molecular

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
    • Clase Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, acetone, ether, and benzene. Insoluble in water.
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.559
• Punto de inflamación (°F): 111.2 °F
• Punto de inflamación (°C): 44℃
• Punto de ebullición (°C): 146°C
• Punto de fusión (°C): -41.2°C
• Peso molecular: 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

Preguntas frecuentes

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.