Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 02:37:31 UTC |
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Update Date | 2016-11-09 01:13:43 UTC |
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Accession Number | CHEM008079 |
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Identification |
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Common Name | Vamidothion |
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Class | Small Molecule |
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Description | An organic thiophosphate that is N-methyl-2-propanamide in which the thiol group has been converted to the corresponding O,O-dimethyl thiophoshate. Formerly used as an insecticide and acaricide, it is no longer approved for use within the European Union. |
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Contaminant Sources | - My Exposome Chemicals
- STOFF IDENT Compounds
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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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Dimethyl S-(2-(1-methylcarbamoylethylthio)ethyl) phosphorothiolate | ChEBI | O,O-Dimethyl S-(2-(1-methylcarbamoylethylthio)ethyl) phosphorothioate | ChEBI | O,O-Dimethyl S-(2-{[1-methyl-2-(methylamino)-2-oxoethyl]sulfanyl}ethyl) thiophosphate | ChEBI | Vamidoate | ChEBI | Dimethyl S-(2-(1-methylcarbamoylethylthio)ethyl) phosphorothiolic acid | Generator | O,O-Dimethyl S-(2-(1-methylcarbamoylethylthio)ethyl) phosphorothioic acid | Generator | O,O-Dimethyl S-(2-{[1-methyl-2-(methylamino)-2-oxoethyl]sulfanyl}ethyl) thiophosphoric acid | Generator | O,O-Dimethyl S-(2-{[1-methyl-2-(methylamino)-2-oxoethyl]sulphanyl}ethyl) thiophosphate | Generator | O,O-Dimethyl S-(2-{[1-methyl-2-(methylamino)-2-oxoethyl]sulphanyl}ethyl) thiophosphoric acid | Generator | Vamidoic acid | Generator | 2-(2-Dimethoxyphosphorylsulphanylethylsulphanyl)-N-methylpropanamide | Generator | Kilval | MeSH | Vamidothion | MeSH | O,O-Dimethyl S-(2-(1-methylcarbamoylethylthio)ethyl)phosphorothioate | MeSH |
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Chemical Formula | C8H18NO4PS2 |
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Average Molecular Mass | 287.330 g/mol |
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Monoisotopic Mass | 287.041 g/mol |
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CAS Registry Number | 2275-23-2 |
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IUPAC Name | 2-({2-[(dimethoxyphosphoryl)sulfanyl]ethyl}sulfanyl)-N-methylpropanimidic acid |
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Traditional Name | 2-({2-[(dimethoxyphosphoryl)sulfanyl]ethyl}sulfanyl)-N-methylpropanimidic acid |
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SMILES | COP(=O)(OC)SCCSC(C)C(O)=NC |
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InChI Identifier | InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10) |
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InChI Key | LESVOLZBIFDZGS-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as secondary carboxylic acid amides. Secondary carboxylic acid amides are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl). |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Carboxylic acid derivatives |
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Direct Parent | Secondary carboxylic acid amides |
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Alternative Parents | |
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Substituents | - Secondary carboxylic acid amide
- Dialkylthioether
- Sulfenyl compound
- Thioether
- Organothiophosphorus compound
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic 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 | splash10-000i-1970000000-74fa153cb2f332ce497b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000j-9810000000-24be2cb8948c071a082a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-029l-9700000000-d53905c42abfa681cd3f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014u-0970000000-391f81db433608b2effa | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0uy0-5950000000-0300eddfdf7a86417fda | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00sr-8950000000-829c9d52f218ff312a39 | 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 | 38990 |
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PubChem Compound ID | 560193 |
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Kegg Compound ID | C18666 |
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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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