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

CAS: 4298-52-6 Cat. No.: E107746 Formula: C₆H₄S Peso molecolare: 108.16 Numero EC: 801-598-3

QUALITÀ & PUREZZA ≥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

Specifiche

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

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

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504763278

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

C#CC1=CC=CS1

WGK Germania

3

Peso molecolare

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
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive,Air Sensitive,Heat Sensitive
• Indice di rifrazione: 1.58
• Punto di infiammabilità (°F): 107.6 °F
• Punto di infiammabilità (°C): 42 °C
• Punto di ebollizione (°C): 46°C/15mmHg
• Peso molecolare: 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