3,3′′′-Didodecyl-2,2′:5′,2′′:5′′,2′′′−quaterthiophene - ≥97% , CAS No.162151-09-9

CAS: 162151-09-9 Cat. No.: D468810 Molecular Weight: 667.15 EC Number: 634-056-8

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

Storage

Room temperature

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Description

Semiconducting oligomer (p-type), also used as monomer to prepare poly(3,3′′′-dialkyl-quaterthiophene) polymers (PQTs).

Specifications

Synonyms

SCHEMBL85824 | 2-(3-dodecyl-2-thienyl)-5-[5-(3-dodecyl-2-thienyl)-2-thienyl]thiophene | 5, 5mu-Bis(3-dodecyl-2-thienyl)-2, 2mu-bithiophene | 3, 3'''-Didodecyl-2, 2':5', 2'':5'', 2'''quaterthiophene | 3, 3'''-didodecyl-2, 2':5', 2'':5'', 2'''-quaterthiophene | NSC68

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

Canonical Smiles	CCCCCCCCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=CS4)CCCCCCCCCCCC
IUPAC Name	2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
InChIKey	DZUNDTRLGXGTGU-UHFFFAOYSA-N
INCHI	1S/C40H58S4/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-31-41-39(33)37-27-25-35(43-37)36-26-28-38(44-36)40-34(30-32-42-40)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3
Isomeric SMILES	CCCCCCCCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=CS4)CCCCCCCCCCCC
Molecular Weight	667.15
Reaxy-Rn	7156431
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7156431&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	55-59℃
Molecular Weight	667.200 g/mol
XLogP3	18.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	25
Exact Mass	666.342 Da
Monoisotopic Mass	666.342 Da
Topological Polar Surface Area	113.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	641.000
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