| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 02:36:20 UTC |
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| Update Date | 2016-11-09 01:13:43 UTC |
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| Accession Number | CHEM008039 |
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| Identification |
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| Common Name | Tetrapropyl thiodiphosphate |
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| Class | Small Molecule |
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| Description | Not Available |
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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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| O,O-Dipropyl {[dipropoxy(sulfanylidene)--phosphanyl]oxy}phosphonothioic acid | Generator | | O,O-Dipropyl {[dipropoxy(sulphanylidene)--phosphanyl]oxy}phosphonothioate | Generator | | O,O-Dipropyl {[dipropoxy(sulphanylidene)--phosphanyl]oxy}phosphonothioic acid | Generator |
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| Chemical Formula | C12H28O5P2S2 |
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| Average Molecular Mass | 378.420 g/mol |
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| Monoisotopic Mass | 378.085 g/mol |
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| CAS Registry Number | 3244-90-4 |
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| IUPAC Name | O,O-dipropyl {[dipropoxy(sulfanylidene)-λ⁵-phosphanyl]oxy}phosphonothioate |
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| Traditional Name | O,O-dipropyl [dipropoxy(sulfanylidene)-λ⁵-phosphanyl]oxyphosphonothioate |
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| SMILES | CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC |
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| InChI Identifier | InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3 |
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| InChI Key | IIDFEIDMIKSJSV-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 | Not Available |
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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 | splash10-004i-4309000000-0bc651ddc3487cc6bbec | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9000000000-e0c378298f6af59b5630 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9100000000-68d903ffb3f2aa876f92 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-002u-0039000000-8a3fe2a5b635b5881cdb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00du-0194000000-318d1b7100e7c4904495 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ukc-0690000000-f81662d9da86e9f2682a | 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 | 18609 |
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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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