SODIUM THIOCYANATE
Relevant Data
Food Additives Approved by WHO:
General Information
| Mainterm | SODIUM THIOCYANATE |
| CAS Reg.No.(or other ID) | 540-72-7 |
| Regnum |
175.105 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 516871 |
| IUPAC Name | sodium;thiocyanate |
| InChI | InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1 |
| InChI Key | VGTPCRGMBIAPIM-UHFFFAOYSA-M |
| Canonical SMILES | C(#N)[S-].[Na+] |
| Molecular Formula | NaSCN |
| Wikipedia | Sodium thiocyanate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 81.068 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Complexity | 34.5 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A C A C B 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 B A Q A A A A A A A A A A A A A A A A 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 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 | 24.8 |
| Monoisotopic Mass | 80.965 |
| Exact Mass | 80.965 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 4 |
| 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 | Organosulfur compounds |
| Class | Thiocyanates |
| Subclass | Metal thiocyanates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Metal thiocyanates |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Metal thiocyanate - Organic alkali metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as metal thiocyanates. These are metal salts of thiocyanic acid. |
From ClassyFire