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

CAS: 625-60-5 Cat. No.: E107950 Formule: C₄H₈OS Poids moléculaire: 104.17 Beilstein Registry Number: 2(4)543 Numéro CE: 210-904-9

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488183451

Pubchem Sid Url

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

Sourires canoniques

CCSC(=O)C

IUPAC Name

S-ethyl ethanethioate

InChIKey

APTGPWJUOYMUCE-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CCSC(=O)C

WGK Allemagne

3

Numéro ONU

1993

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.458
• Point d'éclair (°F): 64.4 °F
• Point d'éclair (°C): 18°C
• Point d'ébullition (°C): 116°C
• Poids moléculaire: 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

Foire aux questions

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.