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Tetrakis(methylthio)tetrathiafulvalene [Organic Electronic Material] - >96.0%(GC), high purity , CAS No.51501-77-0

COA

Grade & Purity:

≥96%(GC)

Cas Number: 51501-77-0
Molecular Weight: 388.69
MDL number: MFCD00059747
PubChem CID: 633638

In stock

Item Number

T162018

Grouped product items
SKU	Size	Availability	Price	Qty
T162018-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
T162018-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90

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Molecular conductor (50)

Basic Description

Synonyms	FT-0735542 \| 4,4',5,5'-Tetrakis(methylsulfanyl)tetrathiafulvalene \| DTXSID60348258 \| LLLXUARUONPZIY-UHFFFAOYSA-N \| T1119 \| MFCD00059747 \| 1,3-Dithiole,2-[4,5-bis(ethylthio)-1,3-dithiol-2-ylidene]-4,5-bis(ethylthio)- \| Tetrakis(methylthio)tetrathiafulvalen
Specifications & Purity	≥96%(GC)
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 Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,3-dithiole - Sulfenyl compound - Hydrocarbon derivative - Organosulfur 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	2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(methylsulfanyl)-1,3-dithiole
INCHI	InChI=1S/C10H12S8/c1-11-5-6(12-2)16-9(15-5)10-17-7(13-3)8(14-4)18-10/h1-4H3
InChIKey	LLLXUARUONPZIY-UHFFFAOYSA-N
Smiles	CSC1=C(SC(=C2SC(=C(S2)SC)SC)S1)SC
Isomeric SMILES	CSC1=C(SC(=C2SC(=C(S2)SC)SC)S1)SC
PubChem CID	633638
Molecular Weight	388.69
Reaxy-Rn	1623932

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	96 °C
Molecular Weight	388.700 g/mol
XLogP3	5.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	387.87 Da
Monoisotopic Mass	387.87 Da
Topological Polar Surface Area	202.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	357.000
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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