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2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene - >98.0%(HPLC)(N), high purity , CAS No.132765-36-7

COA

Grade & Purity:

≥98%(HPLC)(N)

Cas Number: 132765-36-7
Molecular Weight: 544.83
PubChem CID: 11060638

In stock

Item Number

T162020

Grouped product items
SKU	Size	Availability	Price
T162020-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
T162020-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$64.90
T162020-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90

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Material synthetic block (276) Molecular conductor (50)

Basic Description

Synonyms	DTXSID90453682 \| T2806 \| SCHEMBL12264196 \| 3-[[2-[4,5-bis(2-cyanoethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile \| MFCD22124724 \| T71717 \| 2,3,6,7-Tetrakis(2-cyanoethylthio)tetrathiafulvalene \| AGN-P
Specifications & Purity	≥98%(HPLC)(N)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dithioles
    - Subclass 1,3-dithioles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dithioles
Subclass	1,3-dithioles
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dithioles
Alternative Parents	Sulfenyl compounds Nitriles Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,3-dithiole - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-dithioles. These are compounds containing a 5-membered unsaturated ring with three carbon atoms, and two sulfur atoms at the 1- and 3-positions, respectively.
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	3-[[2-[4,5-bis(2-cyanoethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-cyanoethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]propanenitrile
INCHI	InChI=1S/C18H16N4S8/c19-5-1-9-23-13-14(24-10-2-6-20)28-17(27-13)18-29-15(25-11-3-7-21)16(30-18)26-12-4-8-22/h1-4,9-12H2
InChIKey	OFNXHINRTQFOKX-UHFFFAOYSA-N
Smiles	C(CSC1=C(SC(=C2SC(=C(S2)SCCC#N)SCCC#N)S1)SCCC#N)C#N
Isomeric SMILES	C(CSC1=C(SC(=C2SC(=C(S2)SCCC#N)SCCC#N)S1)SCCC#N)C#N
PubChem CID	11060638
Molecular Weight	544.83
Reaxy-Rn	6942129

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air Sensitive
Melt Point(°C)	191 °C
Molecular Weight	544.900 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	12
Exact Mass	543.914 Da
Monoisotopic Mass	543.914 Da
Topological Polar Surface Area	298.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	782.000
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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