Tetrakis(ethylthio)tetrathiafulvalene

Base Information

• Chemical Name: Tetrakis(ethylthio)tetrathiafulvalene
• CAS No.: 104515-79-9
• Molecular Formula: C₁₄H₂₀S₈
• Molecular Weight: 444.841
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00393303
• Nikkaji Number: J408.864F
• Mol file: 104515-79-9.mol

Synonyms:Tetrakis(ethylthio)tetrathiafulvalene;104515-79-9;2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(ethylsulfanyl)-1,3-dithiole;2,3,6,7-TETRAKIS(ETHYLTHIO)TETRATHIAFULVALENE;TET-TTF;SCHEMBL14859502;DTXSID00393303;Tetrakis(ethylthio)tetrahiafulvalene;C14H20S8;MFCD00137866;AKOS001028089;CS-0373838;T1571;D92488;J-001188;Z56799432;4,4',5,5'-Tetrakis(ethylthio)-2,2'-bi(1,3-dithiolylidene)

Chemical Property of Tetrakis(ethylthio)tetrathiafulvalene

Chemical Property:

• Melting Point: 72 °C
• PSA: 202.40000
• LogP: 6.77820
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 443.9330700
• Heavy Atom Count: 22
• Complexity: 407

Purity/Quality:

97% ^*data from raw suppliers

Tetrakis(ethylthio)tetrathiafulvalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=C(SC(=C2SC(=C(S2)SCC)SCC)S1)SCC

Technology Process of Tetrakis(ethylthio)tetrathiafulvalene

There total 4 articles about Tetrakis(ethylthio)tetrathiafulvalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 38.0%

2-Oxo-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dicarboxylic acid dimethyl ester (127807-78-7) + triethyl phosphite (122-52-1) → tetraethylthiotetrathiafulvalene (104515-79-9)

Guidance literature:

DOI:10.1039/c39900000034

Reference yield: 35.0%

4,5-diphenyl-ethylenedithio-1,3-dithiole-2-one + triethyl phosphite (122-52-1) → tetraethylthiotetrathiafulvalene (104515-79-9)

Guidance literature:

In neat (no solvent); Heating;

DOI:10.1016/0040-4039(96)01672-3

Reference yield:

(+/-)-2,3-dihydro-2,3-diphenyl-1,3-dithiolo<4,5-e><1,4>dithiin-6-thione (157922-69-5) → tetraethylthiotetrathiafulvalene (104515-79-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / Hg(OAc)2 / CHCl₃

2: 35 percent / neat (no solvent) / Heating

With mercury(II) diacetate; In chloroform;

DOI:10.1016/0040-4039(96)01672-3

upstream raw materials:

2-Oxo-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dicarboxylic acid dimethyl ester

triethyl phosphite

(+/-)-2,3-dihydro-2,3-diphenyl-1,3-dithiolo<4,5-e><1,4>dithiin-6-thione

SWU₂₀₀₉

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