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4-Hexylthiophene-2-carbonitrile - >95.0%, high purity , CAS No.1224430-39-0

COA

Grade & Purity:

≥95%

Cas Number: 1224430-39-0
Molecular Weight: 193.31
MDL number: MFCD18413940
PubChem CID: 58420906

In stock

Item Number

H157310

Grouped product items
SKU	Size	Availability	Price
H157310-50mg	50mg	2	$76.90
H157310-200mg	200mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$236.90
H157310-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,064.90

View related series

Five-Membered Heterocyclic Compounds (2064) thiophenes (401)

Basic Description

Synonyms	D91040 \| 2-Cyano-4-hexylthiophene \| MFCD18413940 \| ZYB43039 \| DTXSID30729232 \| 1224430-39-0 \| LFLOKABSZNAYLC-UHFFFAOYSA-N \| 2-Thiophenecarbonitrile, 4-hexyl- \| 4-Hexylthiophene-2-carbonitrile \| H1503 \| SCHEMBL820009
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Heteroaromatic compounds

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Heteroaromatic compounds
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Heteroaromatic compounds
Alternative Parents	Thiophenes Nitriles Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Thiophene - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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	4-hexylthiophene-2-carbonitrile
INCHI	InChI=1S/C11H15NS/c1-2-3-4-5-6-10-7-11(8-12)13-9-10/h7,9H,2-6H2,1H3
InChIKey	LFLOKABSZNAYLC-UHFFFAOYSA-N
Smiles	CCCCCCC1=CSC(=C1)C#N
Isomeric SMILES	CCCCCCC1=CSC(=C1)C#N
Molecular Weight	193.31
Reaxy-Rn	20850734
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20850734&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
G2110262	Certificate of Analysis	Apr 02, 2025	H157310
G2110263	Certificate of Analysis	Apr 02, 2025	H157310
G2110265	Certificate of Analysis	Apr 02, 2025	H157310
L2413118	Certificate of Analysis	Jul 21, 2021	H157310

Chemical and Physical Properties

Refractive Index	1.5170 to 1.5210
Flash Point(°C)	129 °C
Molecular Weight	193.310 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	193.093 Da
Monoisotopic Mass	193.093 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182.000
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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