| CAS Number | 68449-38-7 |
| Catalog Number | AG003OC6(AGN-PC-0TSM7U) |
| Chemical Name | Bis(tetrabutylammonium) bis(1,3-dithiol-2-thione-4,5-dithiolato)zinc complex |
| IUPAC Name | zinc;2-sulfanylidene-1,3-dithiole-4,5-dithiolate;tetrabutylazanium |
| InChI | InChI=1S/2C16H36N.2C3H2S5.Zn/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 | ZBBYMGVOKYWSPO-UHFFFAOYSA-J |
| MDL Number | MFCD00060267 |
| Molecular Formula | C38H72N2S10Zn |
| Molecular Weight | 943.0217 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1(=C([S-])SC(=S)S1)[S-].C1(=C([S-])SC(=S)S1)[S-].[Zn+2] |
| Synonyms | 68449-38-7,
Bis(Tetra-N-butylammonium)bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc complex,
tetrabutylammonium bis(5-sulfido-2-thioxo-1,3-dithiol-4-ylthio)zinc,
BIS(TETRA-N-BUTYLAMMONIUM)BIS(1,3-DITHIOLE-2-THIONE-4,5-DITHIOLATO)ZINCCOMPLEX,
Bis(tetrabutylammonium) bis(1,3-dithiol-2-thione-4,5-dithiolato)zinc complex,
BTBA-BDTD Zn Complex,
CID11040304,
IUPAC: Zinc; 2-sulfanylidene-1,3-dithiole-4,5-dithiolate; Tetrabutylazanium,
|
| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 940.219404g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 943g/mol |
| Monoisotopic Mass | 940.219404g/mol |
| Rotatable Bond Count | 26 |
| Topological Polar Surface Area | 169Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number