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2-(1,1-Dioxidobenzo[b]thien-3(2H)-ylidene)propanedinitrile - 98%, high purity , CAS No.74228-25-4

COA

Grade & Purity:

≥98%

Cas Number: 74228-25-4
Molecular Weight: 230.24
MDL number: MFCD01830529
PubChem CID: 821993
PubChem SID: 504760237

In stock

Item Number

D487264

Grouped product items
SKU	Size	Availability	Price
D487264-100mg	100mg	3	$180.90
D487264-250mg	250mg	2	$375.90
D487264-1g	1g	1	$1,125.90

Basic Description

Synonyms	DTXSID701192457 \| 2-(1,1-dioxo-1-benzothiophen-3-ylidene)propanedinitrile \| 2-(1,1-Dioxidobenzo[b]thiophen-3(2H)-ylidene)malononitrile \| 2-(1,1-dioxido-1-benzothien-3(2H)-ylidene)malononitrile \| 2-(1,1-Dioxidobenzo[b]thien-3(2H)-ylidene)propanedinitrile \|
Specifications & Purity	≥98%
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 Benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Not available
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzenoids
Alternative Parents	Sulfones Organoheterocyclic compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenoid - Sulfone - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
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	504760237
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760237
IUPAC Name	2-(1,1-dioxo-1-benzothiophen-3-ylidene)propanedinitrile
INCHI	InChI=1S/C11H6N2O2S/c12-5-8(6-13)10-7-16(14,15)11-4-2-1-3-9(10)11/h1-4H,7H2
InChIKey	MIBIVAHVPBKGES-UHFFFAOYSA-N
Smiles	C1C(=C(C#N)C#N)C2=CC=CC=C2S1(=O)=O
Isomeric SMILES	C1C(=C(C#N)C#N)C2=CC=CC=C2S1(=O)=O
Molecular Weight	230.24
Reaxy-Rn	3610880
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3610880&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2331407	Certificate of Analysis	Jul 31, 2023	D487264
H2331406	Certificate of Analysis	Jul 31, 2023	D487264
H2331412	Certificate of Analysis	Jul 31, 2023	D487264
H2331413	Certificate of Analysis	Jul 31, 2023	D487264
H2331408	Certificate of Analysis	Jul 31, 2023	D487264
H2331414	Certificate of Analysis	Jul 31, 2023	D487264

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Molecular Weight	230.240 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	230.015 Da
Monoisotopic Mass	230.015 Da
Topological Polar Surface Area	90.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	518.000
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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