ZINC DIBUTYLDITHIOCARBAMATE
General Information
| Mainterm | ZINC DIBUTYLDITHIOCARBAMATE |
| CAS Reg.No.(or other ID) | 136-23-2 |
| Regnum |
175.105 175.300 178.2010 177.1210 177.2600 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 5284483 |
| IUPAC Name | zinc;N,N-dibutylcarbamodithioate |
| InChI | InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2 |
| InChI Key | BOXSVZNGTQTENJ-UHFFFAOYSA-L |
| Canonical SMILES | CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2] |
| Molecular Formula | C18H36N2S4Zn |
| Wikipedia | zinc dibutyldithiocarbamate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 474.12 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Complexity | 112.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 7 A A B w A A A C 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 H A Q A A A A A C A D B 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 g A A E A A A A A A C 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 | 472.105 |
| Exact Mass | 472.105 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| 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 - 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