O,O-Diethyl O-2-ethylsulfinylethyl phosphorothioate
Basic information
- CAS
5286-73-7- Standard SMILES
CCOP(=S)(OCC)OCCS(=O)CC- InChIKey
HTXJPMPQYXHDOR-UHFFFAOYSA-N- Molecular formula
- C8H19O4PS2
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.04623843
Names & identifiers
- Preferred name
- O,O-Diethyl O-2-ethylsulfinylethyl phosphorothioate
- IUPAC
- diethoxy-(2-ethylsulfinylethoxy)-sulfanylidene-λ5-phosphane
- English name
- Thiophosphoric acid O,O-diethyl O-[2-(ethylsulfinyl)ethyl] ester
- Molecular formula
- C8H19O4PS2
- Molecular weight
- 274.34
Names & synonyms
Demeton-o sulfoxide5286-73-7O06U450254Dimethyl-2-eththionylethylthionophosphateO,O-Diethyl O-2-ethylsulfinylethyl phosphorothioateRefChem:1093497Systox sulfoxideDemeton-O-sulfoxideDiethyl 2-eththionylethyl thionophosphateO,O-Diethyl O-(2-eththionylethyl)phosphorothioateDemeton-O-sulfoxide Phosphorothioatediethoxy-(2-ethylsulfinylethoxy)-sulfanylidene-lambda5-phosphane
Show more names
Thiophosphoric acid O,O-diethyl O-[2-(ethylsulfinyl)ethyl] ester
PHOSPHOROTHIOIC ACID, O,O-DIETHYL O-(2-(ETHYLSULFINYL)ETHYL) ESTERPhosphorothioic acid, O,O-diethyl O-[2-(ethylsulfinyl)ethyl] esterBRN 1712524UNII-O06U450254DTXSID40863515HTXJPMPQYXHDOR-UHFFFAOYSA-NNS00122076Q27285153
Database identifiers
- CAS
5286-73-7- PubChem CID
- 21358
- DTXSID
DTXSID40863515- UNII
- O06U450254
- Nikkaji
- J50.463G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- FDA UNII
- 6 U450254 · O06U450254
Chemistry & industry
Applications
UsesDemeton-O-sulfoxide Phosphorothioate is a useful research chemical compound is an organophosphorus pesticide.
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Compound notes
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