| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:54 UTC |
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| Update date | 2017-01-19 02:36:32 UTC |
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| FoodComEx ID | PC000676 |
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| FoodDB Record | FDB022638 |
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| Chemical Information |
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| Name | Diethylthiophosphate |
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| Description | Diethylthiophosphate is the most frequent metabolite of organophosphorus (OP) found in urine (PMID 15050412). Organophosphorus compounds are widely used as pesticides because of easy degradation in the environment. Acute OP intoxication results from blockage of the decomposition of synaptic acetylcholine because the pesticide covalently binds to chlolinesterase (PMID 11991535). Chronic exposure to POs has neurological sequelae as well (PMID 8179040) and data suggests that OP exposure alters sperm chromatin condensation (PMID 15050412) [HMDB] |
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| CAS Number | 5871-17-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| DETP | hmdb | | Diethylthioate | Generator | | Diethylthioic acid | Generator | | Diethylthioorate | HMDB | | Diethylthiooric acid | ChEBI | | Diethylthiophosphate | hmdb | | Diethylthiophosphic acid | hmdb | | Diethylthiophosphorate | hmdb | | Diethylthiophosphoric acid | hmdb | | O,O-Diethyl orothionate | HMDB | | O,O-diethyl phosphorothionate | hmdb |
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| Chemical Formula | C4H11O3PS |
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| IUPAC name | diethoxy(sulfanylidene)phosphinous acid |
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| InChI Identifier | InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) |
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| InChI Key | PKUWKAXTAVNIJR-UHFFFAOYSA-N |
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| Isomeric SMILES | CCOP(O)(=S)OCC |
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| Average Molecular Weight | 170.167 |
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| Monoisotopic Molecular Weight | 170.01665142 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as thiophosphate diesters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where exactly two R-groups are organyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic thiophosphoric acids and derivatives |
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| Sub Class | Thiophosphoric acid esters |
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| Direct Parent | Thiophosphate diesters |
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| Alternative Parents | |
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| Substituents | - Thiophosphate diester
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Toronto Research Chemicals | D445254 |
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