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4-n-Octyl-4H-dithieno[3,2-b:2',3'-d]pyrrole - 98%, high purity , CAS No.141029-75-6

COA

Grade & Purity:

≥98%

Cas Number: 141029-75-6
Molecular Weight: 291.47
MDL number: MFCD26793506
PubChem CID: 11033644
PubChem SID: 488197081

In stock

Item Number

N159467

Grouped product items
SKU	Size	Availability	Price
N159467-250mg	250mg	2	$149.90
N159467-1g	1g	2	$458.90
N159467-5g	5g	2	$2,064.90

View related series

Five-Membered Heterocyclic Compounds (2064) Fused ring thiophenes (57)

Basic Description

Synonyms	4-Octyl-4H-dithieno[3,2-b:2',3'-d]pyrrole \| AKOS016011838 \| CS-0152156 \| N-Octyldithieno[3,2-b:2',3'-d]pyrrole \| SCHEMBL12184419 \| DS-6910 \| C72617 \| C16H21NS2 \| 4-n-Octyl-4H-dithieno[3,2-b:2',3'-d]pyrrole \| BCP08253 \| MFCD26793506 \| AC-33749 \| 7-octyl-3,
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Thienopyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyrroles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyrroles
Alternative Parents	Substituted pyrroles Thiophenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thienopyrrole - Substituted pyrrole - Heteroaromatic compound - Thiophene - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyrroles. These are heterocyclic compounds containing a thiophene ring fused to a pyrrole ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom.
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

Pubchem Sid	488197081
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197081
IUPAC Name	7-octyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
INCHI	InChI=1S/C16H21NS2/c1-2-3-4-5-6-7-10-17-13-8-11-18-15(13)16-14(17)9-12-19-16/h8-9,11-12H,2-7,10H2,1H3
InChIKey	GGCJLBJHTUIOES-UHFFFAOYSA-N
Smiles	CCCCCCCCN1C2=C(C3=C1C=CS3)SC=C2
Isomeric SMILES	CCCCCCCCN1C2=C(C3=C1C=CS3)SC=C2
Molecular Weight	291.47
Reaxy-Rn	9410393
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9410393&ln=

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

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Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
A23311249	Certificate of Analysis	Nov 05, 2022	N159467
A2331855	Certificate of Analysis	Nov 05, 2022	N159467
A2331864	Certificate of Analysis	Nov 05, 2022	N159467
A2331879	Certificate of Analysis	Nov 05, 2022	N159467
A2331875	Certificate of Analysis	Nov 05, 2022	N159467
C2526203	Certificate of Analysis	Nov 05, 2022	N159467
A2331860	Certificate of Analysis	Nov 05, 2022	N159467

Chemical and Physical Properties

Flash Point(°C)	210 °C
Melt Point(°C)	35 °C
Molecular Weight	291.500 g/mol
XLogP3	6.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	291.112 Da
Monoisotopic Mass	291.112 Da
Topological Polar Surface Area	61.400 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	264.000
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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