| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:38:55 UTC |
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| Update Date | 2016-11-09 01:13:44 UTC |
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| Accession Number | CHEM008130 |
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| Identification |
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| Common Name | Menazon |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | |
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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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| Sayfos | MeSH | | Menazon | MeSH | | Sayphos | MeSH | | Saiphos | MeSH | | S-((4,6-Diamino-1,3,5-triazin-2-yl)methyl)-O,O-dimethyl phosphorodithioate | MeSH |
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| Chemical Formula | C6H12N5O2PS2 |
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| Average Molecular Mass | 281.290 g/mol |
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| Monoisotopic Mass | 281.017 g/mol |
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| CAS Registry Number | 78-57-9 |
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| IUPAC Name | O,O-dimethyl {[(4,6-diimino-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)methyl]sulfanyl}phosphonothioate |
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| Traditional Name | O,O-dimethyl [(4,6-diimino-1,5-dihydro-1,3,5-triazin-2-yl)methyl]sulfanylphosphonothioate |
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| SMILES | COP(=S)(OC)SCC1=NC(=N)NC(=N)N1 |
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| InChI Identifier | InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11) |
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| InChI Key | SUYHYHLFUHHVJQ-UHFFFAOYSA-N |
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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 | - Dithiophosphate s-ester
- 1,3,5-triazine
- Dithiophosphate o-ester
- Heteroaromatic compound
- Organic dithiophosphate
- Azacycle
- Sulfenyl compound
- Organothiophosphorus compound
- Organooxygen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organosulfur compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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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, Negative | splash10-001i-0190000000-b9e62ae4d5ed82591bf9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-2490000000-240f9e269031b5265294 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00kf-8790000000-ea094d708d0fb5ad2409 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-053r-0590000000-6f63c4995147c0e18651 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0390000000-731ee95d060b88cfafad | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052o-9400000000-cae64c4f225803204472 | 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 | 6543 |
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| Kegg Compound ID | C19006 |
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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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