2-Dodecylthiophene - ≥97% , CAS No.4861-61-4

CAS: 4861-61-4 Cat. No.: D155817 分子式: C₁₆H₂₈S 分子量: 252.46

グレード＆純度 ≥97%

Synonyms

SCHEMBL27348 | 2-Dodecylthiophene # | D4874 | DTXSID10340661 | 2-n-dodecylthiophene | Thiophene, 2-dodecyl- | MFCD22493346 | 2-Dodecylthiophene | T70956 | dodecylthiophene

Storage

Argon charged,Room temperature

Shipped In

Normal

仕様

同義語

SCHEMBL27348 | 2-Dodecylthiophene # | D4874 | DTXSID10340661 | 2-n-dodecylthiophene | Thiophene, 2-dodecyl- | MFCD22493346 | 2-Dodecylthiophene | T70956 | dodecylthiophene

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488190336

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488190336

カノニカル・スマイル

CCCCCCCCCCCCC1=CC=CS1

IUPAC Name

2-dodecylthiophene

InChIKey

NJPMFDNZCLKTHE-UHFFFAOYSA-N

INCHI

1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16/h12,14-15H,2-11,13H2,1H3

異性体SMILES

CCCCCCCCCCCCC1=CC=CS1

分子量

252.46

Reaxy-Rn

133182

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133182&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Air Sensitive
• 屈折率: 1.49
• 引火点（°C）: 108 °C
• 沸点（°C）: 155°C/2mmHg
• 分子量: 252.500 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 252.191 Da
• Monoisotopic Mass: 252.191 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 156.000
• 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

よくある質問

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 4861-61-4, the molecular formula is C16H28S, and the molecular weight is 252.46 g/mol. InChIKey NJPMFDNZCLKTHE-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.