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5,5'-Dibromo-4,4'-ditetradecyl-2,2'-bithiophene - >98%(HPLC), high purity , CAS No.888491-16-5
Discover 5,5'-Dibromo-4,4'-ditetradecyl-2,2'-bithiophene by Aladdin Scientific in >98%(HPLC) for only $1,247.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5,5'-dibromo-4,4'-ditetradecyl-2,2'-bithiophene | 888491-16-5 | 5,5'-Dibromo-4,4'-ditetradecyl-[2,2']bithiophene | SCHEMBL1419440 | YWKJVWGQFAPEDZ-UHFFFAOYSA-N | CS-0433717 | 5,5'-Dibromo-4,4'-ditetradecyl-2,2'-bithiophene, 96%
Specifications & Purity
≥98%(HPLC)
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
2,3,5-trisubstituted thiophenes Aryl bromides Heteroaromatic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bithiophene - 2,3,5-trisubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Organobromide - Organohalogen compound - 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.
Names and Identifiers
IUPAC Name
2-bromo-5-(5-bromo-4-tetradecylthiophen-2-yl)-3-tetradecylthiophene
INCHI
InChI=1S/C36H60Br2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33(39-35(31)37)34-30-32(36(38)40-34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChIKey
YWKJVWGQFAPEDZ-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)Br)CCCCCCCCCCCCCC)Br
Isomeric SMILES
CCCCCCCCCCCCCCC1=C(SC(=C1)C2=CC(=C(S2)Br)CCCCCCCCCCCCCC)Br
Reaxy-Rn
21863308
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21863308&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
716.800 g/mol
XLogP3
19.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
27
Exact Mass
716.248 Da
Monoisotopic Mass
714.25 Da
Topological Polar Surface Area
56.500 Ų
Heavy Atom Count
40
Formal Charge
0
Complexity
511.000
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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