S-(1-Ethoxyethyl) ethanethioate - ≥96% , CAS No.78872-75-0

CAS: 78872-75-0 Cat. No.: S1257752 Summenformel: C₆H₁₂O₂S Molekulargewicht: 148.23 PubChem CID: 12670589

GRADE & PURITY ≥96%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Kanonisches Lächeln

CCOC(C)SC(=O)C

IUPAC Name

S-(1-ethoxyethyl) ethanethioate

InChIKey

FXELKEYJYUDGCZ-UHFFFAOYSA-N

INCHI

1S/C6H12O2S/c1-4-8-6(3)9-5(2)7/h6H,4H2,1-3H3

Isomere SMILES

CCOC(C)SC(=O)C

PubChem CID

12670589

Molekulargewicht

148.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioacetals
      • Subclass Monothioacetals

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioacetals
• Subclass: Monothioacetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Monothioacetals
• Alternative Parents: Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monothioacetal - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as monothioacetals. These are compounds containing a monothioacetal functional group with the general structure R2C(OR')(SR').
• 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

• Molekulargewicht: 148.230 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 148.056 Da
• Monoisotopic Mass: 148.056 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 93.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥96% purity (chemical assay). 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 78872-75-0, the molecular formula is C6H12O2S, and the molecular weight is 148.23 g/mol. InChIKey FXELKEYJYUDGCZ-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.