2-Hexylthiophene - ≥98% , CAS No.18794-77-9

CAS: 18794-77-9 Cat. No.: H111808 Fórmula: C₁₀H₁₆S Peso molecular: 168.3 Número EC: 242-579-4

GRADE & PURITY ≥98%

Synonyms

SCHEMBL28940 | AKOS015839652 | UNII-82479467Q1 | EN300-197567 | FT-0613154 | PD157941 | 82479467Q1 | AS-18185 | CHEBI:168978 | H1350 | Thiophene, hexyl- | HY-34544 | Thiophene, 2-hexyl- | Hexylthiophene | DTXSID50172120 | EINECS 242-579-4 | 2-Hexylthiophe

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL28940 | AKOS015839652 | UNII-82479467Q1 | EN300-197567 | FT-0613154 | PD157941 | 82479467Q1 | AS-18185 | CHEBI:168978 | H1350 | Thiophene, hexyl- | HY-34544 | Thiophene, 2-hexyl- | Hexylthiophene | DTXSID50172120 | EINECS 242-579-4 | 2-Hexylthiophe

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488186442

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186442

Sonrisas canónicas

CCCCCCC1=CC=CS1

IUPAC Name

2-hexylthiophene

InChIKey

QZVHYFUVMQIGGM-UHFFFAOYSA-N

INCHI

1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3

Isómeros SMILES

CCCCCCC1=CC=CS1

WGK Alemania

3

Peso molecular

168.3

Reaxy-Rn

110220

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in most organic solvents and ethanol Soluble . Insoluble in water.
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.496
• Punto de inflamación (°F): 190 °F
• Punto de inflamación (°C): 190°F
• Punto de ebullición (°C): 92 °C/10 mmHg
• Peso molecular: 168.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 168.097 Da
• Monoisotopic Mass: 168.097 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 90.900
• 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