Disulfoton sulfone
Basic information
- CAS
2497-06-5- Standard SMILES
CCOP(=S)(OCC)SCCS(=O)(=O)CC- InChIKey
BKVJOVPVLOJPKJ-UHFFFAOYSA-N- Molecular formula
- C8H19O4PS3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.0183096
Names & identifiers
- Preferred name
- Disulfoton sulfone
- IUPAC
- diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-λ5-phosphane
- English name
- Disulfoton-sulfone
- Molecular formula
- C8H19O4PS3
- Molecular weight
- 306.4
Names & synonyms
DISULFOTON SULFONEDisulfoton-sulfone2497-06-5Disyston sulfoneDTXSID80419019A9M9083NLPhosphorodithioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] esterO,O-Diethyl S-(2-ethsulfonylethyl) phosphorodithioateO,O-Diethyl S-(2-ethsulfonylethyl) thiothionophosphatediethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphaneEthanethiol, 2-(ethylsulfonyl)-, S-ester with O,O-diethyl phosphorodithioateO,O-Diethyl S-(2-ethylsulfonylethyl) phosphorodithioate
Show more names
disystonsulfoneDisulfoton disulfideC12985000 Disulfoton-sulfoneDISULFOTON SULFONE, 100MG,NEATDISULFOTON-SULFONE PESTANAL, 100 MGDisulfoton-sulfone 100 μg/ml TolueneDisulfoton-sulfone 10.0 μg/ml Acetonitrileo,o-diethyls-(2-ethylsulfonylethyl)thionophosphate
Phosphorodithioic acid, O,O-diethyl S-(2-(ethylsulfonyl)ethyl) esterSULFONDISULFOTONBRN 1713538DISULFOTON DIOXIDEDISULPHOTON SULPHONEDisulfoton-sulfone StandardUNII-9A9M9083NLO,O-Diethyl S-(2-ethylsulfonylethyl)thionophosphate
Database identifiers
- CAS
2497-06-5- PubChem CID
- 17241
- DTXSID
DTXSID8041901- ChEMBL
CHEMBL3560887- UNII
- 9A9M9083NL
- EC Number
- 620-990-3
- Nikkaji
- J7.594I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
Pesticides
Pesticide (Disulfoton sulfone) -> USDA PDB
Pesticide degradation product
LogP1.87
Collision Cross Section166.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8041901]
Physicochemical properties
- Boiling point
- 108 °C · 108 °C(Press: 0.01 Torr)
- Density
- 1.2 · 1.2000 (rough estimate)
- refractive index
- 1.521 · 1.5210 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- liquid
- Water Solubility
- 832.3 mg/L · 832.3mg/L(20 ºC)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
- InChIKey
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
This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.
Danger
H300 (92.9%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (92.9%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Disulfoton sulfone
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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- WGK 3
- rtecs
- TD8925000
- ridadr
- 3018
- risk_code
- 28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 28-36/37-45
- hazard_class
Chemistry & industry
Applications
UsesDisulfoton Sulfone is an insecticide that has been quantitatively identified in honey using liquid chromatography- Orbitrap high resolution mass spectrometry. Disulfoton Sulfone has also been analyzed for residues in fruits and vegetables using gas chromatography mass spectrometry.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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