5-Ethyl-2-thiophenecarboxaldehyde - ≥98% , CAS No.36880-33-8

CAS: 36880-33-8 Cat. No.: E169952 Formula: C₇H₈OS Molecular Weight: 140.2 EC Number: 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

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

5-Ethyl-2-thiophenecarboxaldehyde may be used in the preparation of 6-(butylamino)-2-(5-ethylthiophen-2-yl)-3-(4-fluorobenzyl)-2,3-dihydroquinazolin-4(1H)-one.

Specifications

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

Specifications & Purity

≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

528761304

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528761304

Canonical Smiles

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

Isomeric SMILES

CCC1=CC=C(S1)C=O

WGK Germany

3

Molecular Weight

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
    • Class Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive；Moisture sensitive
• Refractive Index: 1.57
• Boil Point(°C): 65℃
• Molecular Weight: 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