Diethyl thioglycolate - ≥97%(GC) , CAS No.925-47-3

CAS: 925-47-3 Cat. No.: D139443 Summenformel: (CH₃CH₂OCOCH₂)₂S Molekulargewicht: 206.26 EG-Nummer: 213-117-9

GRADE & PURITY ≥97%(GC)

Synonyms

Diethyl thioglycolate | UNII-38N3YM4LAK | Acetic acid, 2,2'-thiobis-, 1,1'-diethyl ester | AS-37625 | NSC 12576 | Acetic acid, 2,2'-thiobis-, diethyl ester | Diethyl 2,2'-thiodiacetate | DIETHYL 2,2-THIODIACETATE | 38N3YM4LAK | diethyl thiodiacetate | NSC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Diethyl thioglycolate | UNII-38N3YM4LAK | Acetic acid, 2,2'-thiobis-, 1,1'-diethyl ester | AS-37625 | NSC 12576 | Acetic acid, 2,2'-thiobis-, diethyl ester | Diethyl 2,2'-thiodiacetate | DIETHYL 2,2-THIODIACETATE | 38N3YM4LAK | diethyl thiodiacetate | NSC

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

• Pubchem Sid: 488184499
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184499
• Kanonisches Lächeln: CCOC(=O)CSCC(=O)OCC
• IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylacetate
• InChIKey: TVCSSJHLVLMADJ-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4S/c1-3-11-7(9)5-13-6-8(10)12-4-2/h3-6H2,1-2H3
• Isomere SMILES: CCOC(=O)CSCC(=O)OCC
• WGK Deutschland: 3
• Molekulargewicht: 206.26
• Reaxy-Rn: 1782049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiodiacetic acid derivatives
• Alternative Parents: Carboxylic acid esters Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiodiacetic_acid - Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiodiacetic acid derivatives. These are compounds containing a thiodiacetic acid group (or esters/salts thereof) which is made up of two 2-sulfanylacetic (OC(=O)CS) acid moieties sharing their sulfur atom.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.47
• Flammpunkt (°C): 112 °C
• Siedepunkt (°C): 105 °C/2 mmHg
• Molekulargewicht: 206.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 206.061 Da
• Monoisotopic Mass: 206.061 Da
• Topological Polar Surface Area: 77.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 152.000
• 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

Häufig gestellte Fragen

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.

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 925-47-3, the molecular formula is C8H14O4S, and the molecular weight is 206.26 g/mol. InChIKey TVCSSJHLVLMADJ-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.