Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 03:26:02 UTC |
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Update Date | 2016-11-09 01:14:14 UTC |
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Accession Number | CHEM010657 |
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Identification |
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Common Name | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trithione, trisodium salt |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | - HPV EPA Chemicals
- ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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Trisodium (4,6-disulphanidyl-1,3,5-triazin-2-yl)sulphanide | Generator |
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Chemical Formula | C3N3Na3S3 |
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Average Molecular Mass | 243.200 g/mol |
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Monoisotopic Mass | 242.895 g/mol |
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CAS Registry Number | 17766-26-6 |
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IUPAC Name | trisodium (4,6-disulfanidyl-1,3,5-triazin-2-yl)sulfanide |
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Traditional Name | trisodium (4,6-disulfanidyl-1,3,5-triazin-2-yl)sulfanide |
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SMILES | [Na+].[Na+].[Na+].[S-]C1=NC([S-])=NC([S-])=N1 |
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InChI Identifier | InChI=1S/C3H3N3S3.3Na/c7-1-4-2(8)6-3(9)5-1;;;/h(H3,4,5,6,7,8,9);;;/q;3*+1/p-3 |
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InChI Key | NYVOYAFUSJONHU-UHFFFAOYSA-K |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 1,3,5-triazines. 1,3,5-triazines are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 3, and 5. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Triazines |
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Sub Class | 1,3,5-triazines |
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Direct Parent | 1,3,5-triazines |
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Alternative Parents | |
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Substituents | - 1,3,5-triazine
- Heteroaromatic compound
- Azacycle
- Organic alkali metal salt
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organic sodium salt
- Organic salt
- Organic zwitterion
- Organosulfur compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0090000000-73151a76ee8e3f4ab51a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0090000000-73151a76ee8e3f4ab51a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-0090000000-73151a76ee8e3f4ab51a | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | 3647359 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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