S,S'-Diethyl Dithiocarbonate - ≥98%(GC) , CAS No.623-80-3

CAS: 623-80-3 Cat. No.: S161294 Summenformel: C₅H₁₀OS₂ Molekulargewicht: 150.25 Beilstein Registry Number: 3(3)339 PubChem CID: 12196

GRADE & PURITY ≥98%

Synonyms

Carbonodithioic acid, S,S-diethyl ester | T71137 | MBUCFVKJCBBWRI-UHFFFAOYSA-N | SCHEMBL3065037 | DTXSID50211366 | D2078 | Carbonic acid, dithio-, S,S-diethyl ester | AKOS006230608 | S,S-DIETHYL CARBAMODITHIOATE | S,S-DIETHYL CARBONODITHIOATE | S,S'-Dieth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Carbonodithioic acid, S,S-diethyl ester | T71137 | MBUCFVKJCBBWRI-UHFFFAOYSA-N | SCHEMBL3065037 | DTXSID50211366 | D2078 | Carbonic acid, dithio-, S,S-diethyl ester | AKOS006230608 | S,S-DIETHYL CARBAMODITHIOATE | S,S-DIETHYL CARBONODITHIOATE | S,S'-Dieth

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCSC(=O)SCC
• IUPAC Name: bis(ethylsulfanyl)methanone
• InChIKey: MBUCFVKJCBBWRI-UHFFFAOYSA-N
• INCHI: 1S/C5H10OS2/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
• Isomere SMILES: CCSC(=O)SCC
• PubChem CID: 12196
• Molekulargewicht: 150.25
• Beilstein: 3(3)339
• Reaxy-Rn: 1744980

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Sulfenyl compound - 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 organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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

• Brechungsindex: 1.52
• Flammpunkt (°C): 71 °C
• Siedepunkt (°C): 168°C(lit.)
• Molekulargewicht: 150.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 150.017 Da
• Monoisotopic Mass: 150.017 Da
• Topological Polar Surface Area: 67.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.800
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 623-80-3, the molecular formula is C5H10OS2, and the molecular weight is 150.25 g/mol. InChIKey MBUCFVKJCBBWRI-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.