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

CAS: 4298-52-6 Cat. No.: E107746 Summenformel: C₆H₄S Molekulargewicht: 108.16 EG-Nummer: 801-598-3

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504763278

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

C#CC1=CC=CS1

WGK Deutschland

3

Molekulargewicht

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
    • 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 Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Acetylide - 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

• Empfindlichkeit: Light Sensitive,Air Sensitive,Heat Sensitive
• Brechungsindex: 1.58
• Flammpunkt (°F): 107.6 °F
• Flammpunkt (°C): 42 °C
• Siedepunkt (°C): 46°C/15mmHg
• Molekulargewicht: 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