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3,3′′′-Dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene - 95%, high purity , CAS No.132814-91-6

COA

Grade & Purity:

≥95%

Cas Number: 132814-91-6
Molecular Weight: 498.83
MDL number: MFCD10567045
PubChem CID: 12141630

In stock

Item Number

D166986

Grouped product items
SKU	Size	Availability	Price
D166986-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$17.90
D166986-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
D166986-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$211.90

View related series

Small molecule semiconductor block (414) thiophenes (401)

Basic Description

Synonyms	D5492 \| SCHEMBL987458 \| 2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-dihexyl- \| 3-HEXYL-5'-{3'-HEXYL-[2,2'-BITHIOPHEN]-5-YL}-2,2'-BITHIOPHENE \| MLDVGCCQHBDHDR-UHFFFAOYSA-N \| 3,3'''-dihexyl-[2,2';5',2'';5'',2''']quaterthiophene \| AKOS016845176 \| 3,3'''-Dih
Specifications & Purity	≥95%
Storage Temp	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.

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	2,5-disubstituted thiophenes Heteroaromatic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bithiophene - 2,5-disubstituted thiophene - 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
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

Names and Identifiers

IUPAC Name	2-(3-hexylthiophen-2-yl)-5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophene
INCHI	InChI=1S/C28H34S4/c1-3-5-7-9-11-21-17-19-29-27(21)25-15-13-23(31-25)24-14-16-26(32-24)28-22(18-20-30-28)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3
InChIKey	MLDVGCCQHBDHDR-UHFFFAOYSA-N
Smiles	CCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=CS4)CCCCCC
Isomeric SMILES	CCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=CS4)CCCCCC
Molecular Weight	498.83
Reaxy-Rn	8363990
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8363990&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light Sensitive,Air Sensitive,Heat Sensitive
Molecular Weight	498.800 g/mol
XLogP3	11.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
Exact Mass	498.154 Da
Monoisotopic Mass	498.154 Da
Topological Polar Surface Area	113.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	480.000
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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