3,4-(2′,2′-Diethylpropylene)dioxythiophene - ≥97% , CAS No.259139-19-0

CAS: 259139-19-0 Cat. No.: D169096 Fórmula: C₁₁H₁₆O₂S Peso molecular: 212.31

GRADE & PURITY ≥97%

Synonyms

3,4-(2,2-Diethylpropylene)dioxythiophene,97% | 2H-Thieno[3,4-b][1,4]dioxepin, 3,3-diethyl-3,4-dihydro- | 3,4-(2',2'-Diethylpropylene)dioxythiophene, 97% | MFCD08705267 | 3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine | 3,4-(2 inverted exclamation mark

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3,4-(2,2-Diethylpropylene)dioxythiophene,97% | 2H-Thieno[3,4-b][1,4]dioxepin, 3,3-diethyl-3,4-dihydro- | 3,4-(2',2'-Diethylpropylene)dioxythiophene, 97% | MFCD08705267 | 3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine | 3,4-(2 inverted exclamation mark

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488197689

Sonrisas canónicas

CCC1(COC2=CSC=C2OC1)CC

IUPAC Name

3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

InChIKey

HMKHKPKUPVRLOW-UHFFFAOYSA-N

INCHI

1S/C11H16O2S/c1-3-11(4-2)7-12-9-5-14-6-10(9)13-8-11/h5-6H,3-4,7-8H2,1-2H3

Isómeros SMILES

CCC1(COC2=CSC=C2OC1)CC

WGK Alemania

3

Peso molecular

212.31

Reaxy-Rn

9192046

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9192046&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Thiophenes Heteroaromatic compounds Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Heteroaromatic compound - Thiophene - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

Propiedades químicas y físicas

• Peso molecular: 212.310 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.087 Da
• Monoisotopic Mass: 212.087 Da
• Topological Polar Surface Area: 46.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 176.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 259139-19-0, the molecular formula is C11H16O2S, and the molecular weight is 212.31 g/mol. InChIKey HMKHKPKUPVRLOW-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.