1,3-Bis(methylthio)-2-methoxypropane - ≥97%(GC) , CAS No.31805-84-2

CAS: 31805-84-2 Cat. No.: B152501 Summenformel: C₆H₁₄OS₂ Molekulargewicht: 166.3

QUALITÄT & REINHEIT ≥97%(GC)

Synonyms

31805-84-2|1,3-Bis(methylthio)-2-methoxypropane|2-Methoxy-1,3-bis(methylsulfanyl)propane|2-Methoxy-1,3-bis(methylthio)propane|1,3-Bis-(methylthio)-2-methoxypropane|Propane, 2-methoxy-1,3-bis(methylthio)-|EINECS 250-815-2|SCHEMBL8674550|MOISORXUYSHXRU-UHFF

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

31805-84-2 | 1,3-Bis(methylthio)-2-methoxypropane | 2-Methoxy-1,3-bis(methylsulfanyl)propane | 2-Methoxy-1,3-bis(methylthio)propane | 1,3-Bis-(methylthio)-2-methoxypropane | Propane, 2-methoxy-1,3-bis(methylthio)- | EINECS 250-815-2 | SCHEMBL8674550 | MOISORXUYSHXRU-UHFF

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

Kanonisches Lächeln

COC(CSC)CSC

IUPAC Name

2-methoxy-1,3-bis(methylsulfanyl)propane

InChIKey

MOISORXUYSHXRU-UHFFFAOYSA-N

INCHI

1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3

Isomere SMILES

COC(CSC)CSC

Molekulargewicht

166.3

Reaxy-Rn

1847668

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1847668&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Thioether - Dialkyl ether - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

• Siedepunkt (°C): 97°C/9mmHg(lit.)
• Molekulargewicht: 166.300 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 166.049 Da
• Monoisotopic Mass: 166.049 Da
• Topological Polar Surface Area: 59.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 53.000
• 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 ≥97% 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 31805-84-2, the molecular formula is C6H14OS2, and the molecular weight is 166.3 g/mol. InChIKey MOISORXUYSHXRU-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.