| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 01:48:24 UTC |
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| Update Date | 2016-11-09 01:09:22 UTC |
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| Accession Number | CHEM004518 |
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| Identification |
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| Common Name | Chlorthiophos |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | - Clean Air Act Chemicals
- 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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| O-2,5-Dichloro-4-(methylsulfanyl)phenyl O,O-diethyl phosphorothioic acid | Generator | | O-2,5-Dichloro-4-(methylsulphanyl)phenyl O,O-diethyl phosphorothioate | Generator | | O-2,5-Dichloro-4-(methylsulphanyl)phenyl O,O-diethyl phosphorothioic acid | Generator | | Celamerck S 2957 | MeSH | | Celathion | MeSH | | Chlorthiophos | MeSH |
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| Chemical Formula | C11H15Cl2O3PS2 |
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| Average Molecular Mass | 361.230 g/mol |
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| Monoisotopic Mass | 359.958 g/mol |
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| CAS Registry Number | 21923-23-9 |
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| IUPAC Name | O-2,5-dichloro-4-(methylsulfanyl)phenyl O,O-diethyl phosphorothioate |
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| Traditional Name | chlorthiophos (main isomer) |
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| SMILES | CCOP(=S)(OCC)OC1=CC(Cl)=C(SC)C=C1Cl |
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| InChI Identifier | InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3 |
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| InChI Key | JAZJVWLGNLCNDD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl 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 | Phenyl thiophosphates |
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| Alternative Parents | |
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| Substituents | - Phenyl thiophosphate
- Phenoxy compound
- Aryl thioether
- 1,4-dichlorobenzene
- Thiophenol ether
- Thiophosphate triester
- Chlorobenzene
- Halobenzene
- Alkylarylthioether
- Aryl chloride
- Monocyclic benzene moiety
- Aryl halide
- Benzenoid
- Thioether
- Sulfenyl compound
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Organochloride
- Organohalogen compound
- Organic oxygen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic 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 | splash10-03e9-0009000000-f7ca5e4e5066d39ad144 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ue9-1129000000-bffa73dad2e814c96241 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-4934000000-22b077e782576b853ef5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9127000000-c9c4d83ea10beef36ab9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-001i-3197000000-cc4e0810b8c90c15fa84 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9113000000-bd82d010d4f949ec55bd | 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 | 30859 |
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| Kegg Compound ID | C18970 |
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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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