Phoratoxon sulfoxide
Basic information
- CAS
2588-05-8- Standard SMILES
CCOP(=O)(OCC)SCS(=O)CC- InChIKey
RCRHKXGEYNVPDK-UHFFFAOYSA-N- Molecular formula
- C7H17O4PS2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.03058836
Names & identifiers
- Preferred name
- Phoratoxon sulfoxide
- IUPAC
- 1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethane
- English name
- PHORATE SULFOXIDE
- Molecular formula
- C7H17O4PS2
- Molecular weight
- 260.31
Names & synonyms
Phorate oxon sulfoxidePhoratoxon sulfoxideO,O-Diethyl S-eththionylmethyl phosphorothioateDiethyl S-eththionylmethyl thiophosphatePhorate sulfoxide oxonL4VV582486PHORATOXON SULPHOXIDEBRN 2504793DTXSID6042284UNII-L4VV582486Phosphorothioic acid, O,O-diethyl S-[(ethylsulfinyl)methyl] esterPhosphorothioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) ester
Show more names
PHORATE SULFOXIDEPhorate-sulphoxidephoratoxonsulfoxideNitenpyram Impurity 2Phorate O-analog sulfoxidePhorate oxon sulfoxide Solutionphorate oxygen analogue sulfoxide
RefChem:173453DTXCID4022284RCRHKXGEYNVPDK-UHFFFAOYSA-N2588-05-8Phorate-oxon-sulfoxide1-[ethoxy(ethylsulfinylmethylsulfanyl)phosphoryl]oxyethanePhorate-oxon sulfoxideSCHEMBL5933690
Database identifiers
- CAS
2588-05-8- PubChem CID
- 17426
- DTXSID
DTXSID6042284- UNII
- L4VV582486
- Nikkaji
- J7.621J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Pesticides
Pesticide (Phorate oxygen analog sulfoxide) -> USDA PDB
Pesticide degradation product
LogP1.69
Physicochemical properties
- Boiling point
- 150 °C · 150 °C(Press: 0.2 Torr)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Light Yellow
- FDA UNII
- 4 VV582486 · L4VV582486
- EPA Substance Registry System
- Phosphorothioic acid, O,O-diethyl S-[(ethylsulfinyl)methyl] ester (2588-05-8)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H336-H400-H410
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Phorate oxon sulfoxide
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- ridadr
- 3018
- hs_code
- 2934208090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS09
- hazard_code
- T
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H225-H315-H336-H400-H410
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesPhorate Oxon Sulfoxide is a major metabolite of Phorate (P353500), an inhibitor of acetylcholinesterase and pseudocholinesterase.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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