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Tetrakis(ethylthio)tetrathiafulvalene - Reagent grade, high purity , CAS No.104515-79-9
Basic Description
Synonyms | 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(ethylsulfanyl)-1,3-dithiole | AKOS001028089 | MFCD00137866 | 2,3,6,7-TETRAKIS(ETHYLTHIO)TETRATHIAFULVALENE | DTXSID00393303 | C14H20S8 | Tetrakis(ethylthio)tetrahiafulvalene | D92488 | J-001188 | 4, |
Specifications & Purity | Reagent grade |
Storage Temp | Store at 2-8°C,Argon charged |
Shipped In | Wet ice |
Grade | Reagent Grade |
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Names and Identifiers
Pubchem Sid | 504762597 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762597 |
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 |
Canonical SMILES | CCSC1=C(SC(=C2SC(=C(S2)SCC)SCC)S1)SCC |
Isomeric SMILES | CCSC1=C(SC(=C2SC(=C(S2)SCC)SCC)S1)SCC |
PubChem CID | 3524833 |
Molecular Weight | 444.79 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Heat sensitive;Moisture sensitive |
Melt Point(°C) | 72℃ |
Molecular Weight | 444.800 g/mol |
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XLogP3 | 6.900 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 8 |
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Rotatable Bond Count | 8 |
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Exact Mass | 443.933 Da |
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Monoisotopic Mass | 443.933 Da |
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Topological Polar Surface Area | 202.000 Ų |
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Heavy Atom Count | 22 |
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Formal Charge | 0 |
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Complexity | 407.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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