| CAS Number | 104515-79-9 |
| Catalog Number | AG003FFP(AGN-PC-0KVVIS) |
| Chemical Name | 2,3,6,7-TETRAKIS(ETHYLTHIO)TETRATHIAFULVALENE |
| IUPAC Name | 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(ethylsulfanyl)-1,3-dithiole |
| InChI | InChI=1S/C14H20S8/c1-5-15-9-10(16-6-2)20-13(19-9)14-21-11(17-7-3)12(22-14)18-8-4/h5-8H2,1-4H3 |
| InChI Key | LLDJYFLUQDMPQI-UHFFFAOYSA-N |
| MDL Number | MFCD00137866 |
| Molecular Formula | C14H20S8 |
| Molecular Weight | 444.8286 |
| SMILES | CCSC1=C(SCC)SC(=C2SC(=C(SCC)S2)SCC)S1 |
| Synonyms | Tetrakis(ethylthio)tetrathiafulvalene,
104515-79-9,
Tetrakis(ethylthio)tetrathiafulvalene [Organic Electronic Material],
TET-TTF,
AC1MRWB9,
SCHEMBL14859502,
DTXSID00393303,
Tetrakis(ethylthio)tetrahiafulvalene,
MFCD00137866,
ZINC12561775,
AKOS001028089,
MCULE-9636608632,
2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(ethylsulfanyl)-1,3-dithiole,
TR-000998,
J-001188,
CID3524833,
T1571,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 443.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 444.794g/mol |
| Monoisotopic Mass | 443.933g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 202A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
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Certificate of Analysis
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