| CAS Number | 68341-09-3 |
| Catalog Number | AG00FG3O(AGN-PC-0TS7GE) |
| Chemical Name | Diacetyl-bis(4-methylthiosemicarbazonato) copperII |
| IUPAC Name | copper;N'-methyl-N-[(E)-[(3E)-3-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]butan-2-ylidene]amino]carbamimidothioate |
| InChI | InChI=1S/C8H16N6S2.Cu/c1-5(11-13-7(15)9-3)6(2)12-14-8(16)10-4;/h1-4H3,(H2,9,13,15)(H2,10,14,16);/q;+2/p-2/b11-5+,12-6+; |
| InChI Key | SBHDKYTVDCRMOE-JPAPVDFESA-L |
| MDL Number | MFCD20275141 |
| Molecular Formula | C8H14CuN6S2 |
| Molecular Weight | 321.9130 |
| SMILES | [N-]1C(=[S][Cu+2]23[S]=C([N-][N]3=C(C(=[N]12)C)C)NC)NC |
| UNII | 0YDK1H9L3A |
| Synonyms | UNII-0YDK1H9L3A,
0YDK1H9L3A,
Cu(II)astm,
68341-09-3,
CU-ASTM,
Copper(II) diacetyl-di(N4-methyl)thiosemicarbazone,
Copper, ((2,2'-(1,2-dimethyl-1,2-ethanediylidene)bis(N-methylhydrazinecarbothioamidato-kappaN2,kappaS))(2-))-, (sp-4-2)-,
CID10064708,
Copper (ii) Diacetyl-di(n(4)-methylthiosemicarbazone),
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 321.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.908g/mol |
| Monoisotopic Mass | 321.002g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number