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2,2′-Bithieno[3,2-b]thiophene - 96%, high purity , CAS No.648430-73-3
Basic Description
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
Specifications & Purity
≥96%
Product Description
Description
This material is used as a binary pi-conjugated spacer in the synthesis of highly efficient; stable dyes for dye-sensitized solar cells.
Taxonomic Classification
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
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.
Names and Identifiers
IUPAC Name
5-thieno[3,2-b]thiophen-5-ylthieno[3,2-b]thiophene
INCHI
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
InChIKey
ZDFFDKMGCBNSKY-UHFFFAOYSA-N
Smiles
C1=CSC2=C1SC(=C2)C3=CC4=C(S3)C=CS4
Isomeric SMILES
C1=CSC2=C1SC(=C2)C3=CC4=C(S3)C=CS4
UN Number
3335
Molecular Weight
278.44
Reaxy-Rn
9625835
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9625835&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
232-238℃
Molecular Weight
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
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