COPPER DIMETHYLDITHIOCARBAMATE
General Information
| Mainterm | COPPER DIMETHYLDITHIOCARBAMATE |
| CAS Reg.No.(or other ID) | 137-29-1 |
| Regnum |
177.2600 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 472181 |
| IUPAC Name | copper;N,N-dimethylcarbamodithioate |
| InChI | InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2 |
| InChI Key | ZOUQIAGHKFLHIA-UHFFFAOYSA-L |
| Canonical SMILES | CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2] |
| Molecular Formula | C6H12CuN2S4 |
| Wikipedia | copper dimethyldithiocarbamate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 303.962 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 54.3 |
| CACTVS Substructure Key Fingerprint | A A A D c c B j A A B w A A A E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A F A Q A A A A A A A A A A A Q C A A M A A A A E A A A A A A A A A A A A A A g A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 72.7 |
| Monoisotopic Mass | 302.918 |
| Exact Mass | 302.918 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic salts |
| Class | Organic metal salts |
| Subclass | Organic transition metal salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic transition metal salts |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic copper salt - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form. |
From ClassyFire