SODIUM DIBUTYLDITHIOCARBAMATE
General Information
| Mainterm | SODIUM DIBUTYLDITHIOCARBAMATE |
| CAS Reg.No.(or other ID) | 136-30-1 |
| Regnum |
177.2600 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 546717 |
| IUPAC Name | sodium;N,N-dibutylcarbamodithioate |
| InChI | InChI=1S/C9H19NS2.Na/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1 |
| InChI Key | HUMLQUKVJARKRN-UHFFFAOYSA-M |
| Canonical SMILES | CCCCN(CCCC)C(=S)[S-].[Na+] |
| Molecular Formula | C9H18NNaS2 |
| Wikipedia | sodium dibutyldithiocarbamate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 227.36 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Complexity | 123.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B y A C B g 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 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 | 36.3 |
| Monoisotopic Mass | 227.078 |
| Exact Mass | 227.078 |
| 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 | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic salts |
| Class | Organic metal salts |
| Subclass | Organic alkali metal salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic alkali metal salts |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organic alkali metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic sodium salt - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic alkali metal salts. These are organic salts of an alkali metal. The alkali metal atom is usually in its ionic form. |
From ClassyFire