POTASSIUM PENTAMETHYLENEDITHIOCARBAMATE
General Information
| Mainterm | POTASSIUM PENTAMETHYLENEDITHIOCARBAMATE |
| CAS Reg.No.(or other ID) | 136-04-9 |
| Regnum |
177.2600 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23665339 |
| IUPAC Name | potassium;piperidine-1-carbodithioate |
| InChI | InChI=1S/C6H11NS2.K/c8-6(9)7-4-2-1-3-5-7;/h1-5H2,(H,8,9);/q;+1/p-1 |
| InChI Key | CQLPLCKPQVVMQF-UHFFFAOYSA-M |
| Canonical SMILES | C1CCN(CC1)C(=S)[S-].[K+] |
| Molecular Formula | C6H10KNS2 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 199.371 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Complexity | 112.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B i A A B g Q A A A A A A A A A A A A A A A A A A A A A A s 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 A 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 I A g A A E A A A A A A C A A A A Q 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 | 36.3 |
| Monoisotopic Mass | 198.989 |
| Exact Mass | 198.989 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| 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 | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidines |
| Alternative Parents | |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperidine - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organosulfur compound - Organonitrogen compound - Organic cation - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. |
From ClassyFire