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

CAS: 4298-52-6 Cat. No.: E107746 분자식: C₆H₄S 분자량: 108.16 EC 번호: 801-598-3

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥97%

보관 조건

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

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

504763278

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

C#CC1=CC=CS1

WGK 독일

3

분자량

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
    • 분류 Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Light Sensitive,Air Sensitive,Heat Sensitive
• 굴절률: 1.58
• 발화점(°F): 107.6 °F
• 발화점(°C): 42 °C
• 끓는점(°C): 46°C/15mmHg
• 분자량: 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