5-etil-2-tiofenocarboxaldehído - ≥98% , CAS No.36880-33-8

CAS: 36880-33-8 Cat. No.: E169952 Fórmula: C₇H₈OS Peso molecular: 140.2 Número EC: 253-252-0

GRADE & PURITY ≥98%

Synonyms

FT-0620377 | UNII-8I907X809K | BIDD:GT0099 | BBL040916 | 2-Ethyl-5-formylthiophene | AKOS000304486 | 5-ethyl-thiophene-2-carboxaldehyde | 5-Ethylthiophene-2-carboxaldehyde | SB66977 | SCHEMBL158329 | Z385369988 | EN300-56842 | STK400128 | UNII-0813BZ6866

Storage

Temperatura ambiente

Shipped In

Ice chest + Ice pads

Descripción general

el 5-etil-2-tiofenocarboxaldehído puede utilizarse en la preparación de 6-(butilamino)-2-(5-etiltiofen-2-il)-3-(4-fluorobencil)-2,3-dihidroquinazolin-4(1H)-ona.

Specifications

Sinónimos

FT-0620377 | UNII-8I907X809K | BIDD:GT0099 | BBL040916 | 2-Ethyl-5-formylthiophene | AKOS000304486 | 5-ethyl-thiophene-2-carboxaldehyde | 5-Ethylthiophene-2-carboxaldehyde | SB66977 | SCHEMBL158329 | Z385369988 | EN300-56842 | STK400128 | UNII-0813BZ6866

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528761304
• Sonrisas canónicas: CCC1=CC=C(S1)C=O
• IUPAC Name: 5-ethylthiophene-2-carbaldehyde
• InChIKey: CLQXZICUPGZTPE-UHFFFAOYSA-N
• INCHI: 1S/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
• Isómeros SMILES: CCC1=CC=C(S1)C=O
• WGK Alemania: 3
• Peso molecular: 140.2
• Reaxy-Rn: 108539
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108539&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Aryl-aldehyde - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• 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

• Sensibilidad: Light sensitive；Moisture sensitive
• Índice de refracción: 1.57
• Punto de ebullición (°C): 65℃
• Peso molecular: 140.200 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.03 Da
• Monoisotopic Mass: 140.03 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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