Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 03:52:09 UTC |
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Update Date | 2016-11-09 01:14:32 UTC |
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Accession Number | CHEM012241 |
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Identification |
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Common Name | 3,16-Dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane, 4,4,15,15-tetraethoxy- |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | - HPV EPA Chemicals
- ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Not Available |
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Chemical Formula | C18H42O6S4Si2 |
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Average Molecular Mass | 538.940 g/mol |
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Monoisotopic Mass | 538.140 g/mol |
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CAS Registry Number | 40372-72-3 |
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IUPAC Name | 4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane |
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Traditional Name | 4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane |
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SMILES | CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC |
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InChI Identifier | InChI=1S/C18H42O6S4Si2/c1-7-19-29(20-8-2,21-9-3)17-13-15-25-27-28-26-16-14-18-30(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3 |
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InChI Key | VTHOKNTVYKTUPI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group). |
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Kingdom | Organic compounds |
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Super Class | Organometallic compounds |
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Class | Organometalloid compounds |
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Sub Class | Organosilicon compounds |
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Direct Parent | Trialkoxysilanes |
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Alternative Parents | |
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Substituents | - Trialkoxysilane
- Silyl ether
- Organoheterosilane
- Organic metalloid salt
- Sulfenyl compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organic salt
- Organosulfur compound
- 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 | splash10-000i-1343190000-3890b70a1328d6d46472 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01q9-5296740000-349a4de2cbece11b0f07 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-056r-2933000000-fe81f1845a14e11e14db | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03y3-0951540000-6f181c01564924b9c27b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01w4-1692420000-e08f97ef38b1b428d631 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01pk-6968500000-3695a412f34794607655 | 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 | 162012 |
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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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