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Basic Description
| Synonyms | PHORATE SULFONE | Phorat-sulfone | 2588-04-7 | Thimet sulfone | Phorate-sulfone | R20VQB36US | DTXSID6042282 | O,O-Diethyl S-ethylsulfonylmethyl thionophosphate | O,O-Diethyl S-ethylsulfonylmethyl phosphorodithioate | Methanethiol, (ethylsulfonyl)-, S-ester with O,O-diethy |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic dithiophosphoric acids and derivatives |
| Subclass | Dithiophosphate O-esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dithiophosphate O-esters |
| Alternative Parents | Dithiophosphate S-esters Sulfones Sulfenyl compounds Organothiophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dithiophosphate o-ester - Dithiophosphate s-ester - Sulfonyl - Sulfone - Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dithiophosphate o-esters. These are o-ester derivatives of dithiophosphates, with the general structure RSP(O)(O)=S (R = organyl group). |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-λ5-phosphane |
|---|---|
| INCHI | InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3 |
| InChIKey | YVPSNUIHHFTTRL-UHFFFAOYSA-N |
| Smiles | CCOP(=S)(OCC)SCS(=O)(=O)CC |
| Isomeric SMILES | CCOP(=S)(OCC)SCS(=O)(=O)CC |
| WGK Germany | 3 |
| RTECS | TD9100000 |
| PubChem CID | 17425 |
| UN Number | 3278 |
| Molecular Weight | 292.38 |
| Beilstein | 2506019 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C23111288 |
Certificate of Analysis | Mar 22, 2023 | P493763 |
Chemical and Physical Properties
| Molecular Weight | 292.400 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 292.003 Da |
| Monoisotopic Mass | 292.003 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 299.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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