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

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

GRADE & PURITY ≥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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488183451
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183451
• Sorrisi canonici: CCSC(=O)C
• IUPAC Name: S-ethyl ethanethioate
• InChIKey: APTGPWJUOYMUCE-UHFFFAOYSA-N
• INCHI: 1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
• Isomeri SMILES: CCSC(=O)C
• WGK Germania: 3
• Numero UN: 1993
• Peso molecolare: 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
    • Classe Thiocarboxylic acids and derivatives
      • Subclass Thioesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.458
• Punto di infiammabilità (°F): 64.4 °F
• Punto di infiammabilità (°C): 18°C
• Punto di ebollizione (°C): 116°C
• Peso molecolare: 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

Riferimenti

1. Nan Jiang, Hongyan Liu, Guodong Zhao, Heyi Li, Shuo Yang, Xianlin Xu, Xupin Zhuang, Bowen Cheng.  (2023)  Aramid nanofibers supported metal-organic framework aerogel for protection of chemical warfare agent.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:36863176] [10.1016/j.jcis.2023.02.105]

2. Zhixing Wang, Jinqing Lv, Weifeng Liu, Weiwei Sun, Zhiwen Dong, Kexiang Wang, Tingting You, Penggang Yin.  (2026)  Facile Molecular Modification for Efficient and Stable Carbon-Based CsPbI3 Perovskite Solar Cells.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.5c04098]

Domande frequenti

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.