| CAS Number | 201653-76-1 |
| Catalog Number | AG00BF7Q(AGN-PC-0QSB2D) |
| Chemical Name | NAMI-A |
| IUPAC Name | 1H-imidazole;1H-imidazol-3-ium;methylsulfinylmethane;ruthenium(3+);tetrachloride |
| InChI | InChI=1S/2C3H4N2.C2H6OS.4ClH.Ru/c2*1-2-5-3-4-1;1-4(2)3;;;;;/h2*1-3H,(H,4,5);1-2H3;4*1H;/q;;;;;;;+3/p-3 |
| InChI Key | RJZBTXZRLXLLKO-UHFFFAOYSA-K |
| MDL Number | MFCD31630816 |
| Molecular Formula | C8H14Cl4N4ORuS |
| Molecular Weight | 458.1779 |
| SMILES | [H+].C[S](=O)(C)[Ru+3]([N]1=CNC=C1)([Cl-])([Cl-])([Cl-])[Cl-].c1cnc[nH]1 |
| UNII | 60487Z56XW |
| Synonyms | ImH(trans-RuCl4(DMSO)Im),
imidazolium imidazoledimethylsulfoxidetetrachlororuthenate(III),
imidazolium-bis(imidazole)dimethylsulfoxideimidazotetrachlororuthenate(III),
NAMI-A,
UNII-60487Z56XW,
60487Z56XW,
NAMI-A,
Imidazolium-trans-tetrachloro(dimethylsulfoxide)imidazoleruthenium(III),
1H-Imidazole (OC-6-11)-tetrachloro(1H-imidazole-kappaN3)(1,1'-(sulfinyl-kappaS)bis(methane))ruthenate(1-) (1:1),
201653-76-1,
Ruthenate(1-), tetrachloro(1H-imidazole-kappaN3)(1,1'-(sulfinyl-kappaS)bis(methane))-, (OC-6-11)-, hydrogen, compd. with 1H-imidazole (1:1:1),
ImH(trans-RuCl4(DMSO)Im),
C113661,
imidazolium imidazoledimethylsulfoxidetetrachlororuthenate(III),
imidazolium-bis(imidazole)dimethylsulfoxideimidazotetrachlororuthenate(III),
|
| Complexity | 81.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 8 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.873g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 458.165g/mol |
| Monoisotopic Mass | 456.876g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number