2,2':5',2''-Terthiophene-5,5''-dicarboxaldehyde - ≥98% , CAS No.13130-50-2

CAS: 13130-50-2 Cat. No.: T162821 Molecular Weight: 304.4 PubChem CID: 4389805

GRADE & PURITY ≥98%

Synonyms

[2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde | MFCD01863637 | 5'-(5-FORMYLTHIOPHEN-2-YL)-[2,2'-BITHIOPHENE]-5-CARBALDEHYDE | AKOS005256479 | 2,2':5',2''-Terthiophene-5,5''-dicarboxaldehyde | AS-68079 | [2,2':5',2''-terthiophene]-5,5''-dicarbaldehyde

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

[2, 2':5', 2''-Terthiophene]-5, 5''-dicarboxaldehyde | MFCD01863637 | 5'-(5-FORMYLTHIOPHEN-2-YL)-[2, 2'-BITHIOPHENE]-5-CARBALDEHYDE | AKOS005256479 | 2, 2':5', 2''-Terthiophene-5, 5''-dicarboxaldehyde | AS-68079 | [2, 2':5', 2''-terthiophene]-5, 5''-dicarbaldehyde

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(S3)C=O)C=O
• IUPAC Name: 5-[5-(5-formylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde
• InChIKey: YAEGPDBHSBKYRW-UHFFFAOYSA-N
• INCHI: 1S/C14H8O2S3/c15-7-9-1-3-11(17-9)13-5-6-14(19-13)12-4-2-10(8-16)18-12/h1-8H
• Isomeric SMILES: C1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(S3)C=O)C=O
• PubChem CID: 4389805
• Molecular Weight: 304.4
• Reaxy-Rn: 5066066

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Bi- and oligothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Bi- and oligothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Bi- and oligothiophenes
• Alternative Parents: Aryl-aldehydes 2,5-disubstituted thiophenes Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bithiophene - 2,5-disubstituted thiophene - Aryl-aldehyde - Heteroaromatic compound - Thiophene - 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 bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 222 °C
• Molecular Weight: 304.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 303.969 Da
• Monoisotopic Mass: 303.969 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 318.000
• 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