2-Ethylthiophene - ≥97% , CAS No.872-55-9

CAS: 872-55-9 Cat. No.: E101589 Formule: C₆H₈S Poids moléculaire: 112.19 Beilstein Registry Number: 105402 Numéro CE: 212-830-2

GRADE & PURITY ≥97%

Synonyms

F0001-2170 | MFCD00005461 | Thiophene, 2-ethyl- | E0380 | 2-ETHYLTHIOPHENE | 2-ethyl-thiophene | EINECS 212-830-2 | 2-Ethylthiophene, 97% | AM20110253 | FT-0612297 | AKOS005257557 | SCHEMBL91161 | UNII-E5616Q8745 | EN300-21167 | SY048489 | ETHYLTHIOPHENE

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

It is used as a heterocyclic building block. Also a maillard product used to provide a pleasant aroma to meat and coffee.

Specifications

Synonymes

F0001-2170 | MFCD00005461 | Thiophene, 2-ethyl- | E0380 | 2-ETHYLTHIOPHENE | 2-ethyl-thiophene | EINECS 212-830-2 | 2-Ethylthiophene, 97% | AM20110253 | FT-0612297 | AKOS005257557 | SCHEMBL91161 | UNII-E5616Q8745 | EN300-21167 | SY048489 | ETHYLTHIOPHENE

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protected from light,Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504752447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752447

Sourires canoniques

CCC1=CC=CS1

IUPAC Name

2-ethylthiophene

InChIKey

JCCCMAAJYSNBPR-UHFFFAOYSA-N

INCHI

1S/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3

Isomères SMILES

CCC1=CC=CS1

WGK Allemagne

3

Numéro ONU

1993

Poids moléculaire

112.19

Beilstein

105402

Reaxy-Rn

105402

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105402&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 Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Not miscible or difficult to mix with water.
• Sensibilité: Light & Air Sensitive;Heat sensitive
• Indice de réfraction: 1.513
• Point d'éclair (°F): 80.6 °F
• Point d'éclair (°C): 27 °C
• Point d'ébullition (°C): 132-134°C
• Poids moléculaire: 112.190 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.035 Da
• Monoisotopic Mass: 112.035 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.100
• 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