| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:43:01 UTC |
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| Update Date | 2016-11-09 01:09:20 UTC |
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| Accession Number | CHEM004379 |
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| Identification |
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| Common Name | Chinomethionat |
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| Class | Small Molecule |
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| Description | A dithioloquinoxaline that results from the formal condensation of 6-methylquinoxaline-2,3-dithiol with phosgene. It has been used as a fungicide and acaricide for the control of mites and powdery mildew on citrus, vegetables, and walnuts, but is not approved for use in the EU. |
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| Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- My Exposome Chemicals
- STOFF IDENT Compounds
- 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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| 6-Methyl-2,3-quinoxalinedithiol cyclic dithiocarbonate | ChEBI | | 6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonate | ChEBI | | Chinomethionat | ChEBI | | Chinomethionate | ChEBI | | Morestan | ChEBI | | Oxythioquinox | ChEBI | | S,S-(6-Methylquinoxaline-2,3-diyl) dithiocarbonate | ChEBI | | 6-Methyl-2,3-quinoxalinedithiol cyclic dithiocarbonic acid | Generator | | 6-Methyl-2,3-quinoxalinedithiol cyclic S,S-dithiocarbonic acid | Generator | | Chinomethionic acid | Generator | | S,S-(6-Methylquinoxaline-2,3-diyl) dithiocarbonic acid | Generator | | Quinomethionic acid | Generator | | 6-Methyl-2,3-quinoxalinedithiol cyclic carbonate | MeSH | | Quinomethionate | MeSH, KEGG | | 6-Methyl-2-oxo-1,3-dithio(4,5-b)quinoxaline | MeSH |
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| Chemical Formula | C10H6N2OS2 |
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| Average Molecular Mass | 234.290 g/mol |
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| Monoisotopic Mass | 233.992 g/mol |
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| CAS Registry Number | 2439-01-2 |
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| IUPAC Name | 6-methyl-2H-[1,3]dithiolo[4,5-b]quinoxalin-2-one |
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| Traditional Name | joust |
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| SMILES | CC1=CC2=NC3=C(SC(=O)S3)N=C2C=C1 |
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| InChI Identifier | InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3 |
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| InChI Key | FBQQHUGEACOBDN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazanaphthalenes |
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| Sub Class | Benzodiazines |
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| Direct Parent | Quinoxalines |
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| Alternative Parents | |
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| Substituents | - Quinoxaline
- Benzenoid
- Pyrazine
- Heteroaromatic compound
- Dithiole
- 1,3-dithiole
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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, Positive | splash10-001i-0090000000-b0b58c4e467b3d6a8768 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-74df41242660bd101776 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0090000000-ea9484413b9d4cdde65d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-0090000000-2049fcae9515674f0623 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0900000000-8edd66f7ab34eb93a9ff | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-0900000000-1f497459bf4a8cce8119 | 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 | 34620 |
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| PubChem Compound ID | 17109 |
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| Kegg Compound ID | C14514 |
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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 | |
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