| CAS Number | 72688-90-5 |
| Catalog Number | AG003OC4(AGN-PC-0U14IQ) |
| Chemical Name | Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)palladium(II) |
| IUPAC Name | palladium(2+);2-sulfanylidene-1,3-dithiole-4,5-dithiolate;tetrabutylazanium |
| InChI | InChI=1S/2C16H36N.2C3H2S5.Pd/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*4-1-2(5)8-3(6)7-1;/h2*5-16H2,1-4H3;2*4-5H;/q2*+1;;;+2/p-4 |
| InChI Key | GKUMQKGIGICMGT-UHFFFAOYSA-J |
| MDL Number | MFCD00143779 |
| Molecular Formula | C22H40NPdS10 |
| Molecular Weight | 745.6297 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.S=C1SC2=C([SH-][Pd+2]3([SH-]C(S4)=C(SC4=S)[SH-]3)[SH-]2)S1 |
| Synonyms | 72688-90-5,
Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)palladium(II),
MFCD00143779,
Bis(tetra-n-butylammonium) bis(1,3-dithiole-2-thione-4,5-dithiolato)-palladium(II),
bis-(Tetra-n-butylammonium) bis-(1,3-dithiole-2-thione-4,5-dithiolato)palladium(II),
BIS BIS PALLADIUM,
B1437,
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| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 982.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 984.028g/mol |
| Monoisotopic Mass | 982.194g/mol |
| Rotatable Bond Count | 24 |
| Topological Polar Surface Area | 169A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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