Ethyl thioglycolate - ≥98% , CAS No.623-51-8

CAS: 623-51-8 Cat. No.: E109439 Summenformel: C₄H₈O₂S Molekulargewicht: 120.17 Beilstein Registry Number: 605581 EG-Nummer: 210-800-3

QUALITÄT & REINHEIT ≥98%

Synonyms

InChI=1/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H | W-105004 | ETHYL THIOGLYCOLATE [INCI] | Acetic acid, 2-mercapto-, ethyl ester | Acetic acid,mercapto-,ethylester | Ethyl mercaptoacetate | ethyl mercapto-acetate | CAS-623-51-8 | F21271 | WLN: SH1VO2 | 2-ethyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

InChI=1/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H | W-105004 | ETHYL THIOGLYCOLATE [INCI] | Acetic acid, 2-mercapto-, ethyl ester | Acetic acid,mercapto-,ethylester | Ethyl mercaptoacetate | ethyl mercapto-acetate | CAS-623-51-8 | F21271 | WLN: SH1VO2 | 2-ethyl

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488181578

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181578

Kanonisches Lächeln

CCOC(=O)CS

IUPAC Name

ethyl 2-sulfanylacetate

InChIKey

PVBRSNZAOAJRKO-UHFFFAOYSA-N

INCHI

1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3

Isomere SMILES

CCOC(=O)CS

WGK Deutschland

3

RTECS

AI6650000

UN-Nummer

1992

Molekulargewicht

120.17

Beilstein

605581

Reaxy-Rn

605581

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605581&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkylthiol - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Not miscible or difficult to mix in water.
• Empfindlichkeit: Light & Air & moisture sensitive.
• Brechungsindex: 1.4571
• Flammpunkt (°F): 116.6 °F
• Flammpunkt (°C): 47℃
• Siedepunkt (°C): 54°C
• Schmelzpunkt (°C): -80°C
• Molekulargewicht: 120.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.025 Da
• Monoisotopic Mass: 120.025 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% 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 623-51-8, the molecular formula is C4H8O2S, and the molecular weight is 120.17 g/mol. InChIKey PVBRSNZAOAJRKO-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.