2,2′-Bithieno[3,2-b]thiophene - ≥96% , CAS No.648430-73-3

CAS: 648430-73-3 Cat. No.: B468181 Formule: C₁₂H₆S₄ Poids moléculaire: 278.44 Numéro CE: 694-701-4

GRADE & PURITY ≥96%

Synonyms

E79478 | MFCD27665376 | 2,2'-Bithieno[3,2-b]thiophene, 96% | 2,2 inverted exclamation marka-Bithieno[3,2-b]thiophene | 2,2 inverted exclamation mark -Bithieno[3,2-b]thiophene | 2,2'-Bithieno[3,2-b]thiophene | 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiop

Storage

Room temperature

Vue d’ensemble

Description

This material is used as a binary pi-conjugated spacer in the synthesis of highly efficient; stable dyes for dye-sensitized solar cells.

Specifications

Synonymes

E79478 | MFCD27665376 | 2,2'-Bithieno[3,2-b]thiophene, 96% | 2,2 inverted exclamation marka-Bithieno[3,2-b]thiophene | 2,2 inverted exclamation mark -Bithieno[3,2-b]thiophene | 2,2'-Bithieno[3,2-b]thiophene | 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiop

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Pureté

≥96%

Noms et identifiants

• Sourires canoniques: C1=CSC2=C1SC(=C2)C3=CC4=C(S3)C=CS4
• IUPAC Name: 5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene
• InChIKey: ZDFFDKMGCBNSKY-UHFFFAOYSA-N
• INCHI: 1S/C12H6S4/c1-3-13-9-5-11(15-7(1)9)12-6-10-8(16-12)2-4-14-10/h1-6H
• Isomères SMILES: C1=CSC2=C1SC(=C2)C3=CC4=C(S3)C=CS4
• Numéro ONU: 3335
• Poids moléculaire: 278.44
• Reaxy-Rn: 9625835
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9625835&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Bi- and oligothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Bi- and oligothiophenes
• Alternative Parents: Thienothiophenes 2,3,5-trisubstituted thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bithiophene - Thienothiophene - 2,3,5-trisubstituted thiophene - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteropolycyclic 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

Propriétés chimiques et physiques

• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Point de fusion (°C): 232-238℃
• Poids moléculaire: 278.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 277.935 Da
• Monoisotopic Mass: 277.935 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 648430-73-3, the molecular formula is C12H6S4, and the molecular weight is 278.44 g/mol. InChIKey ZDFFDKMGCBNSKY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.