1-Diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
Basic information
- CAS
2496-92-6- Standard SMILES
CCOP(=O)(OCC)SCCS(=O)CC- InChIKey
RWRHZQVSYSDUSM-UHFFFAOYSA-N- Molecular formula
- C8H19O4PS2
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.04623843
Names & identifiers
- Preferred name
- 1-Diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
- IUPAC
- 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
- English name
- disulfoton-oxon-sulfoxide
- Molecular formula
- C8H19O4PS2
- Molecular weight
- 274.34
Names & synonyms
Demeton-S Sulfoxide1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethaneRefChem:432078875-656-12496-92-6PO systox sulfoxideIsosystox sulfoxideIsodemeton-sulfoxidedisulfoton-oxon-sulfoxideThiol systox sulfoxideDiethyl S-(2-eththionylethyl) thiophosphateO,O-Diethyl S-(2-eththionylethyl) phosphorothioate
Show more names
Systox sulfoxideDanazol Impurity 4Iso-systox sulfoxideDemeton-S-sulfoxide SolutionDemeton-S-sulfoxide Solution, 100μg/mLDisulfoton-oxon- sulfoxide (Demeton-S- sulfoxide)Thiophosphoric acid O,O-diethyl S-[2-(ethylsulfinyl)ethyl] esterO,O-Diethyl Phosphorothioic Acid S-[2-(Ethylsulfinyl)ethyl] Ester
O,O-Diethyl S-ethyl-2-ethylmercaptophosphorothiolate sulfoxidePhosphorothioic acid, O,O-diethyl S-[2-(ethylsulfinyl)ethyl] esterBRN 1712527AI3-24400Phosphorothioic acid, O,O-diethyl S-[2-(ethylsulfinyl)ethyl] ester; Ethanethiol, 2-(ethylsulfinyl)-, S-ester with O,O-diethyl phosphorothioate (8CI); Demeton-S sulfoxide; Isosystox sulfoxide; O,O-Diethyl S-[2-(ethylsulfinyl)ethyl] phosphorothioate; Systox sulfoxideDemeton S-sulfoxideDemeton-S-sulfoxidePHOSPHOROTHIOIC ACID, O,O-DIETHYL S-(2-(ETHYLSULFINYL)ETHYL)ESTER
Database identifiers
- CAS
2496-92-6- PubChem CID
- 17240
- DTXSID
DTXSID7042229- EC Number
- 875-656-1
- Nikkaji
- J9.770E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Pesticides
Pesticide (Demeton-S sulfoxide) -> USDA PDB
Pesticide degradation product
Physicochemical properties
- Boiling point
- 54 °C · 54°C
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- CAS DataBase Reference
- 2496 · 2496-92-6
- EPA Substance Registry System
- 2 · Phosphorothioic acid, O,O-diethyl S-[2-(ethylsulfinyl)ethyl] ester (2496-92-6)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H310-H400
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P273-P391-P501
- RIDADR
- 3018 · 3018
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (100%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Disulfoton 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
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H300-H310-H400
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P273-P391-P501
Chemistry & industry
Applications
UsesA metabolite of Demeton-S (D231360).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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