3-Undecylthiophen - ≥97% , CAS No.129607-86-9

CAS: 129607-86-9 Cat. No.: U162893 Summenformel: C₁₅H₂₆S Molekulargewicht: 238.43 PubChem CID: 566841

GRADE & PURITY ≥97%

Synonyms

DTXSID00340731 | 3-n-undecylthiophene | AKOS015839830 | 3-Undecylthiophene | SCHEMBL980450 | T71692 | GEO-02441 | STIIRMZYURVVGK-UHFFFAOYSA-N | BS-52290 | MFCD00130144 | U0056 | W-200098

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID00340731 | 3-n-undecylthiophene | AKOS015839830 | 3-Undecylthiophene | SCHEMBL980450 | T71692 | GEO-02441 | STIIRMZYURVVGK-UHFFFAOYSA-N | BS-52290 | MFCD00130144 | U0056 | W-200098

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488190337
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190337
• Kanonisches Lächeln: CCCCCCCCCCCC1=CSC=C1
• IUPAC Name: 3-undecylthiophene
• InChIKey: STIIRMZYURVVGK-UHFFFAOYSA-N
• INCHI: 1S/C15H26S/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14-15/h12-14H,2-11H2,1H3
• Isomere SMILES: CCCCCCCCCCCC1=CSC=C1
• PubChem CID: 566841
• Molekulargewicht: 238.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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: 1.49
• Flammpunkt (°C): 107 °C
• Siedepunkt (°C): 166°C/9mmHg
• Molekulargewicht: 238.400 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 238.176 Da
• Monoisotopic Mass: 238.176 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 144.000
• 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?

This product is supplied at ≥97% 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 129607-86-9, the molecular formula is C15H26S, and the molecular weight is 238.43 g/mol. InChIKey STIIRMZYURVVGK-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.