| CAS Number | 106920-29-0 |
| Catalog Number | AG003UUE(AGN-PC-0OWLNQ) |
| Chemical Name | TPT-TTF |
| IUPAC Name | 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-1,3-dithiole |
| InChI | InChI=1S/C26H44S8/c1-5-9-13-17-27-21-22(28-18-14-10-6-2)32-25(31-21)26-33-23(29-19-15-11-7-3)24(34-26)30-20-16-12-8-4/h5-20H2,1-4H3 |
| InChI Key | LFXNQRWLTHGAND-UHFFFAOYSA-N |
| MDL Number | MFCD00060136 |
| Molecular Formula | C26H44S8 |
| Molecular Weight | 613.1476 |
| SMILES | CCCCCSC1=C(SCCCCC)SC(=C2SC(=C(S2)SCCCCC)SCCCCC)S1 |
| Synonyms | TPT-TTF,
106920-29-0,
Tetrakis(pentylthio)tetrathiafulvalene,
tetrakis(n-pentylthio)tetrathiafulvalene,
SCHEMBL6024723,
DTXSID70544946,
Tetrakis(amylthio)tetrathiafulvalene,
MFCD00060136,
ZINC72099798,
TR-001365,
FT-0742817,
C-44743,
TETRAKIS(PENTYLTHIO)TETRATHIAFULVALENE [ORGANIC ELECTRONIC MATERIAL],
2-[4,5-Bis(pentylsulfanyl)-2H-1,3-dithiol-2-ylidene]-4,5-bis(pentylsulfanyl)-2H-1,3-dithiole,
T1205,
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| Complexity | 560 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 612.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 613.118g/mol |
| Monoisotopic Mass | 612.121g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 202A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 12.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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