| Identification |
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| YMDB ID | YMDB00391 |
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| Name | Thiocyanate |
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| Species | Saccharomyces cerevisiae |
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| Strain | Baker's yeast |
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| Description | Thiocyanate, also known as rhodanid or thiocyanic acid, 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). Thiocyanate exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on Thiocyanate. |
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| Structure | |
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| Synonyms | - Ammonium rhodanate
- Ammonium rhodanide
- Ammonium sulfocyanate
- HSCN
- Hydrogen thiocyanate
- Nitridosulfanidocarbon
- Rhodanid
- Rhodanide
- SCN
- Silver thiocyanate agscn
- Thallium thiocyanate
- Thiocyanate ion
- Thiocyanic acid
- Thiocyanid
- Weedazol TL
- [S-C#N](-)
- N#C-S(-)
- SCN(-)
- Thiocyanate ion (1-)
- Thiozyanat
- THIOCYANic acid ion
- Thiocyanic acid ion (1-)
- Thiocyanogen ((SCN)2(1-))
- Thiocyanate ion (2-)
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| CAS number | 302-04-5 |
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| Weight | Average: 58.082
Monoisotopic: 57.975144695 |
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| InChI Key | ZMZDMBWJUHKJPS-UHFFFAOYSA-M |
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| InChI | InChI=1S/CHNS/c2-1-3/h3H/p-1 |
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| IUPAC Name | cyanosulfanide |
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| Traditional IUPAC Name | thiocyanate |
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| Chemical Formula | CNS |
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| SMILES | [S-]C#N |
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| Chemical Taxonomy |
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| 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). |
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| Kingdom | Organic compounds |
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| Super Class | Organosulfur compounds |
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| Class | Thiocyanates |
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| Sub Class | Not Available |
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| Direct Parent | Thiocyanates |
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| Alternative Parents | |
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| Substituents | - Thiocyanate
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Solid |
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| Charge | -1 |
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| Melting point | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations | Not Available |
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| Organoleptic Properties | Not Available |
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| SMPDB Pathways | |
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| KEGG Pathways | |
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| SMPDB Reactions | |
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| KEGG Reactions | Not Available |
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| Concentrations |
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| Intracellular Concentrations | Not Available |
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| Extracellular Concentrations | Not Available |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated) | splash10-0a4i-9000000000-afccae6819a2082a3b0e | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated) | splash10-0a4i-9000000000-f7f42d61861dc8b47e0a | JSpectraViewer | MoNA | | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated) | splash10-0a4i-9000000000-d0c4694dff8128c82e83 | JSpectraViewer | MoNA | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-9000000000-96a5deef504fc8cb3052 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-3714ea8b8485698022fe | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-a4aa9bc6ab8c5ca45d18 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4l-9000000000-3e068a4808fd5db992f0 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-052f-9000000000-5b443ccd8993bc2f9325 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9000000000-626420c56c66b85a0f64 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-9000000000-286b63d3516de7d14a12 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-286b63d3516de7d14a12 | JSpectraViewer | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-286b63d3516de7d14a12 | JSpectraViewer |
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| References |
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| References: | - UniProt Consortium (2011). "Ongoing and future developments at the Universal Protein Resource." Nucleic Acids Res 39:D214-D219.21051339
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| Synthesis Reference: | Lang, Konrad. Thiocyanate formation in the animal body. II. Biochemische Zeitschrift (1933), 263 262-7. |
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| External Links: | |
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