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3,4'-Dihexyl-2,2'-bithiophene - 93%, high purity , CAS No.135926-93-1
Basic Description
Synonyms
3-HEXYL-2-(4-HEXYLTHIOPHEN-2-YL)THIOPHENE | 3,4'-Dihexyl-2,2'-bithiophene | SY029326 | FWQMKAFKIYUBKB-UHFFFAOYSA-N | 3,4'-Dihexyl-[2,2']bithiophenyl | 2,2'-Bithiophene, 3,4'-dihexyl- | T70227 | DTXSID10463167 | MFCD15072161 | 3,4 inverted exclamation mark
Specifications & Purity
≥93%
Storage Temp
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
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
Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bithiophene - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - 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
Pubchem Sid
504766323
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504766323
IUPAC Name
3-hexyl-2-(4-hexylthiophen-2-yl)thiophene
INCHI
InChI=1S/C20H30S2/c1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKey
FWQMKAFKIYUBKB-UHFFFAOYSA-N
Smiles
CCCCCCC1=C(SC=C1)C2=CC(=CS2)CCCCCC
Isomeric SMILES
CCCCCCC1=C(SC=C1)C2=CC(=CS2)CCCCCC
Molecular Weight
334.58
Beilstein
4811842
Reaxy-Rn
7298830
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7298830&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light Sensitive,Air Sensitive,Heat Sensitive
Refractive Index
1.553
Boil Point(°C)
165°C/0.02mmHg
Molecular Weight
334.600 g/mol
XLogP3
8.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
11
Exact Mass
334.179 Da
Monoisotopic Mass
334.179 Da
Topological Polar Surface Area
56.500 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
279.000
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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K2309410