Diethyl ((ethylthio)methyl)phosphonate (CHEM071408)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 04:20:13 UTC | ||||||||
| Update Date | 2026-08-23 22:56:52 UTC | ||||||||
| Accession Number | CHEM071408 | ||||||||
| Identification | |||||||||
| Common Name | Diethyl ((ethylthio)methyl)phosphonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Diethyl ((ethylthio)methyl)phosphonate belongs to the phosphonic acid diesters, a subclass of organic phosphonic acids and derivatives within the organic compounds. It has the chemical formula C7H17O3P1S1 and an average molecular weight of 212.24 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms |
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| Chemical Formula | C7H17O3P1S1 | ||||||||
| Average Molecular Mass | 212.240 g/mol | ||||||||
| Monoisotopic Mass | 212.064 g/mol | ||||||||
| CAS Registry Number | 54091-78-0 | ||||||||
| IUPAC Name | 1-[ethoxy(ethylsulfanylmethyl)phosphoryl]oxyethane | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOP(=O)(CSCC)OCC | ||||||||
| InChI Identifier | InChI=1S/C7H17O3PS/c1-4-9-11(8,10-5-2)7-12-6-3/h4-7H2,1-3H3 | ||||||||
| InChI Key | FTTKKJQNGIJGOC-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as dialkyl alkylphosphonates. Dialkyl alkylphosphonates are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic acids and derivatives | ||||||||
| Class | Organic phosphonic acids and derivatives | ||||||||
| Sub Class | Phosphonic acid diesters | ||||||||
| Direct Parent | Dialkyl alkylphosphonates | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 97655 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
