2-Ethynylthiophene - ≥97% , CAS No.4298-52-6

CAS: 4298-52-6 Cat. No.: E107746 分子式: C₆H₄S 分子量: 108.16 EC番号: 801-598-3

グレード＆純度 ≥97%

Synonyms

PS-9283 | 2-Ethynylthiophene | 2-ethynyl-thiophene | 2-thiophenylacetylene | FT-0645320 | J-509349 | E0915 | LWISLHRIEATKTM-UHFFFAOYSA-N | DTXSID40412961 | 2-ethynylthiophene, 90% | CHEBI:167071 | 2-Acetylenylthiophene | (thiophen-2-yl)acetylene | 2-thien

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

仕様

同義語

PS-9283 | 2-Ethynylthiophene | 2-ethynyl-thiophene | 2-thiophenylacetylene | FT-0645320 | J-509349 | E0915 | LWISLHRIEATKTM-UHFFFAOYSA-N | DTXSID40412961 | 2-ethynylthiophene, 90% | CHEBI:167071 | 2-Acetylenylthiophene | (thiophen-2-yl)acetylene | 2-thien

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

504763278

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504763278

カノニカル・スマイル

C#CC1=CC=CS1

IUPAC Name

2-ethynylthiophene

InChIKey

LWISLHRIEATKTM-UHFFFAOYSA-N

INCHI

1S/C6H4S/c1-2-6-4-3-5-7-6/h1,3-5H

異性体SMILES

C#CC1=CC=CS1

WGKドイツ

3

分子量

108.16

Reaxy-Rn

105773

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105773&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 Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Acetylide - 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: Light Sensitive,Air Sensitive,Heat Sensitive
• 屈折率: 1.58
• 引火点（°F）: 107.6 °F
• 引火点（°C）: 42 °C
• 沸点（°C）: 46°C/15mmHg
• 分子量: 108.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.003 Da
• Monoisotopic Mass: 108.003 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 98.000
• 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