Record Information |
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Version | 1.0 |
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Creation Date | 2016-06-03 12:54:26 UTC |
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Update Date | 2016-11-09 01:23:17 UTC |
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Accession Number | CHEM045178 |
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Identification |
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Common Name | O,O-diisopropyl hydrogen dithiophosphate |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | |
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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-Diisopropyl dithiophosphate, zinc salt | MeSH | O,O-Diisopropyl dithiophosphate | MeSH | O,O-Diisopropyl dithiophosphate, copper salt | MeSH | O,O-Diisopropyl dithiophosphate, potassium salt | MeSH | O,O-Diisopropyl dithiophosphate, antimony salt | MeSH | O,O-Diisopropyl dithiophosphate, sodium salt | MeSH |
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Chemical Formula | C6H15O2PS2 |
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Average Molecular Mass | 214.280 g/mol |
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Monoisotopic Mass | 214.025 g/mol |
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CAS Registry Number | 107-56-2 |
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IUPAC Name | O,O-bis(propan-2-yl) sulfanylphosphonothioate |
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Traditional Name | O,O-diisopropyl sulfanylphosphonothioate |
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SMILES | CC(C)OP(S)(=S)OC(C)C |
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InChI Identifier | InChI=1S/C6H15O2PS2/c1-5(2)7-9(10,11)8-6(3)4/h5-6H,1-4H3,(H,10,11) |
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InChI Key | SZXCCXFNQHQRGF-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as phosphorodithioic acid o,o-diesters. These are organooxygen compounds that contain a phosphorodithioic acid, which is O,O-disubstituted by 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 dithiophosphoric acids and derivatives |
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Sub Class | Dithiophosphate O-esters |
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Direct Parent | Phosphorodithioic acid O,O-diesters |
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Alternative Parents | |
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Substituents | - Phosphorodithioic acid o,o-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 | 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 | splash10-0159-1970000000-c6029530c581b5a51da4 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-1900000000-db08e1298ea466ee8bf2 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000x-9700000000-866ece231a5582293e5f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-1590000000-e6675aa3483e7f936780 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03fr-1930000000-dcb710672f0d15c708c6 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01t9-2900000000-a8eff32626f3b29e5836 | 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 | 7876 |
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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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