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

CAS: 36880-33-8 Cat. No.: E169952 분자식: C₇H₈OS 분자량: 140.2 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%

보관 조건

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

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

528761304

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCC1=CC=C(S1)C=O

WGK 독일

3

분자량

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
    • 분류 Thiophenes
      • Subclass 2,5-disubstituted thiophenes

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

화학 및 물리적 특성

• 감도: Light sensitive；Moisture sensitive
• 굴절률: 1.57
• 끓는점(°C): 65℃
• 분자량: 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