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4-Hexyl-4H-dithieno[3,2-b:2',3'-d]pyrrole - 98%, high purity , CAS No.427875-87-4

COA

Grade & Purity:

≥98%

Cas Number: 427875-87-4
Molecular Weight: 263.42
PubChem CID: 11043620

In stock

Item Number

H589100

Grouped product items
SKU	Size	Availability	Price	Qty
H589100-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
H589100-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light,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 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

IUPAC Name	7-hexyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
INCHI	InChI=1S/C14H17NS2/c1-2-3-4-5-8-15-11-6-9-16-13(11)14-12(15)7-10-17-14/h6-7,9-10H,2-5,8H2,1H3
InChIKey	AMUYHSCQMWBWKE-UHFFFAOYSA-N
Smiles	CCCCCCN1C2=C(C3=C1C=CS3)SC=C2
Isomeric SMILES	CCCCCCN1C2=C(C3=C1C=CS3)SC=C2
Molecular Weight	263.42
Reaxy-Rn	9400492
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9400492&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	263.400 g/mol
XLogP3	5.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	263.08 Da
Monoisotopic Mass	263.08 Da
Topological Polar Surface Area	61.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	239.000
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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