Ethyl Thioacetate - ≥98% , CAS No.625-60-5

CAS: 625-60-5 Cat. No.: E107950 Fórmula: C₄H₈OS Peso molecular: 104.17 Beilstein Registry Number: 2(4)543 Número EC: 210-904-9

CALIDAD & PUREZA ≥98%

Synonyms

EINECS 261-601-3 | Ethyl thiolacetate | InChI=1/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H | S-Ethyl thioacetate | Acetic acid, thio-, ethyl ester | Thioacetic acid, ethyl ester | Thioethyl compound | 6E715F929W | AKOS015950880 | E0708 | Thioacetic Acid S-Ethyl Ester

Storage

Room temperature

Shipped In

Normal

Descripción general

Ethyl thioacetate is a volatile sulfur compound that is reported to occur in durian fruit and wine.

Especificaciones

Sinónimos

EINECS 261-601-3 | Ethyl thiolacetate | InChI=1/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H | S-Ethyl thioacetate | Acetic acid, thio-, ethyl ester | Thioacetic acid, ethyl ester | Thioethyl compound | 6E715F929W | AKOS015950880 | E0708 | Thioacetic Acid S-Ethyl Ester

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488183451

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183451

Sonrisas canónicas

CCSC(=O)C

IUPAC Name

S-ethyl ethanethioate

InChIKey

APTGPWJUOYMUCE-UHFFFAOYSA-N

INCHI

1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3

Isómeros SMILES

CCSC(=O)C

WGK Alemania

3

Número ONU

1993

Peso molecular

104.17

Beilstein

2(4)543

Reaxy-Rn

1737643

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737643&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Thiocarboxylic acids and derivatives
      • Subclass Thioesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Thiocarboxylic acids and derivatives
• Subclass: Thioesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioesters
• Alternative Parents: Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S).
• 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

• Índice de refracción: 1.458
• Punto de inflamación (°F): 64.4 °F
• Punto de inflamación (°C): 18°C
• Punto de ebullición (°C): 116°C
• Peso molecular: 104.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 104.03 Da
• Monoisotopic Mass: 104.03 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 51.500
• 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

How is this product shipped?

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

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.

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

The CAS Number is 625-60-5, the molecular formula is C4H8OS, and the molecular weight is 104.17 g/mol. InChIKey APTGPWJUOYMUCE-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.