| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:44:08 UTC |
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| Update Date | 2016-11-09 01:09:20 UTC |
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| Accession Number | CHEM004411 |
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| Identification |
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| Common Name | Sulfotep |
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| Class | Small Molecule |
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| Description | |
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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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| Bis(O,O-diethylphosphorothionic) anhydride | ChEBI | | Dithion | ChEBI | | Dithiophos | ChEBI | | O,O,O,O-Tetraethyl dithiopyrophosphate | ChEBI | | Sulfotepp | ChEBI | | TEDP | ChEBI | | TEDTP | ChEBI | | Tetraethyl dithiopyrophosphate | ChEBI | | Thiodiphosphoric acid, tetraethyl ester | ChEBI | | O,O,O,O-Tetraethyl dithiopyrophosphoric acid | Generator | | Sulphotepp | Generator | | Tetraethyl dithiopyrophosphoric acid | Generator | | Thiodiphosphate, tetraethyl ester | Generator | | Sulphotep | Generator | | Diethoxyphosphinothioyloxy-diethoxy-sulphanylidene-$l^{5}-phosphane | Generator | | TETPP | MeSH | | Asymmetric tetraethyl dithiopyrophosphate | MeSH | | Sulfotep | MeSH | | Ethyl thiopyrophosphate | MeSH |
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| Chemical Formula | C8H20O5P2S2 |
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| Average Molecular Mass | 322.310 g/mol |
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| Monoisotopic Mass | 322.023 g/mol |
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| CAS Registry Number | 3689-24-5 |
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| IUPAC Name | O,O-diethyl {[diethoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phosphonothioate |
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| Traditional Name | dithione |
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| SMILES | CCOP(=S)(OCC)OP(=S)(OCC)OCC |
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| InChI Identifier | InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3 |
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| InChI Key | XIUROWKZWPIAIB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as thiophosphoric acid esters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an organyl group. |
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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 | Thiophosphoric acid esters |
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| Alternative Parents | |
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| Substituents | - Thiophosphoric acid ester
- 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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| 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 GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-02fx-1980000000-8fe064dae1b2f6ae4518 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00di-1497000000-bf293ef0bcf8926125e3 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01dl-1790000000-66d53b7ecedbe4865aba | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00bc-4910000000-7eb346ce0af19f7f3a55 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00dl-0096000000-91b7c2f88325030d6e6a | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01ot-0090000000-ff43a2e90a08ae80ba78 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01pa-0690000000-87b8b36e3083f57e10b5 | 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 | DB11497 |
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| HMDB ID | HMDB0258605 |
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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 | Sulfotep |
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| Chemspider ID | 18280 |
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| ChEBI ID | 38945 |
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| PubChem Compound ID | Not Available |
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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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