| CAS Number | 55492-86-9 |
| Catalog Number | AG003V8I(AGN-PC-0SJ40B) |
| Chemical Name | Tris(tetrathiafulvalene) Bis(tetrafluoroborate) Complex |
| IUPAC Name | 2-(1,3-dithiol-1-ium-2-yl)-1,3-dithiol-1-ium;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;ditetrafluoroborate |
| InChI | InChI=1S/3C6H4S4.2BF4/c3*1-2-8-5(7-1)6-9-3-4-10-6;2*2-1(3,4)5/h3*1-4H;;/q;;+2;2*-1 |
| InChI Key | IJZRAQUJMWAFMU-UHFFFAOYSA-N |
| MDL Number | MFCD00145489 |
| Molecular Formula | C18H12B2F8S12 |
| Molecular Weight | 786.6771 |
| SMILES | C1=CSC(=C2SC=CS2)S1.C1=CSC(=C2SC=CS2)S1.C1=CSC(=C2[S+]=CC=[S+]2)S1.[B-](F)(F)(F)F.[B-](F)(F)(F)F |
| Synonyms | 55492-86-9,
Tris(tetrathiafulvalene) Bis(tetrafluoroborate) Complex,
MFCD00145489,
Tetrathiafulvalene Fluoroborate,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 785.765g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 20 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 786.621g/mol |
| Monoisotopic Mass | 785.765g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 315A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number