| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2015-10-09 22:32:01 UTC |
|---|
| Update date | 2017-01-19 02:36:33 UTC |
|---|
| FoodComEx ID | PC000699 |
|---|
| FoodDB Record | FDB013883 |
|---|
| Chemical Information |
|---|
| Name | Thiocyanic acid |
|---|
| Description | Present in Cruciferae e.g. Brassica subspecies [DFC]
Thiocyanic acid is a chemical compound with the formula HSCN that exists as a mixture with the isomeric compound isothiocyanic acid (HNCS). It is the sulfur analog of cyanic acid (HOCN). [Wikipedia]. Thiocyanic acid is found in brassicas. |
|---|
| CAS Number | 302-04-5 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| [S-C#N](-) | ChEBI | | Ammonium sulfocyanate | HMDB | | HSCN | HMDB | | Hydrogen thiocyanate | db_source | | N#C-S(-) | ChEBI | | Nitridosulfanidocarbon | HMDB | | Rhodanid | ChEBI | | Rhodanide | ChEBI | | SCN | HMDB | | SCN(-) | ChEBI | | Silver thiocyanate agscn | HMDB | | Sulfocyanic acid | db_source | | Thallium thiocyanate | HMDB | | Thiocyanate | ChEBI | | THIOCYANATE ion | ChEBI | | Thiocyanate ion (1-) | ChEBI | | THIOCYANic acid ion | Generator | | Thiocyanic acid ion (1-) | Generator | | Thiocyanid | HMDB | | Thiozyanat | ChEBI | | Weedazol tl | HMDB |
|
|---|
| Chemical Formula | CHNS |
|---|
| IUPAC name | sulfanylformonitrile |
|---|
| InChI Identifier | InChI=1S/CHNS/c2-1-3/h3H |
|---|
| InChI Key | ZMZDMBWJUHKJPS-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | SC#N |
|---|
| Average Molecular Weight | 59.09 |
|---|
| Monoisotopic Molecular Weight | 58.982969727 |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as thiocyanates. These are salts or esters of thiocyanic acid, with the general formula RSC#N (R=alkyl, aryl). |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organosulfur compounds |
|---|
| Class | Thiocyanates |
|---|
| Sub Class | Not Available |
|---|
| Direct Parent | Thiocyanates |
|---|
| Alternative Parents | |
|---|
| Substituents | - Thiocyanate
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Melting Point | Mp -110° | DFC |
|---|
|
| Foods of Origin |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | Production upon request, up to 400 mg |
|---|
| Delivery Time | Not Available |
|---|
| Storage Form | solid |
|---|
| Storage Conditions | -80°C |
|---|
| Stability | Not Available |
|---|
| Purity | Not Available |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
|
| Commercial Vendors |
|---|
| Not Available |
