3-(Tiofen-3-il)benzaldehído - ≥95% , CAS No.129746-42-5

CAS: 129746-42-5 Cat. No.: T190483 Peso molecular: 188.25 PubChem CID: 4547526

GRADE & PURITY ≥95%

Synonyms

DTXSID80404128 | 3-(3-thieny)benzaldehyde | 3-(3-thieny)benzaldehyde, AldrichCPR | Benzaldehyde, 3-(3-thienyl)- | 3-(3thienyl)benzaldehyde | 3-(3-thienyl)benzaldehyde | 3-(3-thienyl)-benzaldehyde | BB 0222539 | SCHEMBL7523352 | YSZC258 | A805971 | 3-thien

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

DTXSID80404128 | 3-(3-thieny)benzaldehyde | 3-(3-thieny)benzaldehyde, AldrichCPR | Benzaldehyde, 3-(3-thienyl)- | 3-(3thienyl)benzaldehyde | 3-(3-thienyl)benzaldehyde | 3-(3-thienyl)-benzaldehyde | BB 0222539 | SCHEMBL7523352 | YSZC258 | A805971 | 3-thien

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504763054
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763054
• Sonrisas canónicas: C1=CC(=CC(=C1)C2=CSC=C2)C=O
• IUPAC Name: 3-thiophen-3-ylbenzaldehyde
• InChIKey: HOQKGZHXQLZFBT-UHFFFAOYSA-N
• INCHI: 1S/C11H8OS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-8H
• Isómeros SMILES: C1=CC(=CC(=C1)C2=CSC=C2)C=O
• PubChem CID: 4547526
• Peso molecular: 188.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Thiophenes Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Heteroaromatic compound - Thiophene - Organoheterocyclic 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 benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Peso molecular: 188.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.03 Da
• Monoisotopic Mass: 188.03 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 181.000
• 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