Phorate sulfone
Basic information
- CAS
2588-04-7- Standard SMILES
CCOP(=S)(OCC)SCS(=O)(=O)CC- InChIKey
YVPSNUIHHFTTRL-UHFFFAOYSA-N- Molecular formula
- C7H17O4PS3
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.00265954
Names & identifiers
- Preferred name
- Phorate sulfone
- IUPAC
- diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-λ5-phosphane
- English name
- Phorate sulfone
- Molecular formula
- C7H17O4PS3
- Molecular weight
- 292.38
Names & synonyms
PHORATE SULFONE2588-04-7Thimet sulfoneCaswell No. 849BDTXSID6042282R20VQB36USPHORATE SULPHONEO,O-Diethyl S-ethylsulfonylmethyl thionophosphateUNII-R20VQB36USBRN 2506019Methanethiol, (ethylsulfonyl)-, S-ester with O,O-diethyl phosphorodithioateCL 18,161
Show more names
Phorate-sulfonthimetsulfonePHORAT-SULFONEPhorate sulfone-D10Phosphamidon Impurity 4Phorate sulfone SolutionC16088000 Phorate-sulfonePHORAT-SULFONE PESTANAL, 100 MGPhorate sulfone Solution, 1000ppm
DTXCID4022282Phosphorodithioic acid, O,O-diethyl S-((ethylsulfonyl)methyl) esterPhosphorodithioic acid, O,O-diethyl S-[(ethylsulfonyl)methyl] esterO,O-Diethyl S-ethsulfonylmethyl thiothionophosphateO,O-Diethyl S-ethylsulfonylmethyl phosphorodithioateO,O-Diethyl-S-ethylsulfonyl methylphosphorodithioateO,O-Diethyl S-ethylsulfonylmethyl dithiophosphateO,O-Diethyl S-ethylsulfonylmethyl thiothionophosphate
Database identifiers
- CAS
2588-04-7- PubChem CID
- 17425
- DTXSID
DTXSID6042282- UNII
- R20VQB36US
- EC Number
- 634-800-1
- Nikkaji
- J7.620A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Pesticides
Pesticide (Phorate sulfone) -> USDA PDB
Pesticide degradation product
Collision Cross Section162.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6042282]
Physicochemical properties
- Boiling point
- 150 °C · 150 °C(Press: 0.1 Torr)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- refractive index
- 1.5285 · 1.5285 (20℃)
- Flash point
- -26 °C · -26 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Soluble), Methanol (Soluble)
- form
- Oil
- color
- Clear Colorless to Light Orange
- Water Solubility
- 859.3 mg/L · 859.3mg/L(19 ºC)
- Stability
- Hygroscopic
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 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (92.9%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Phorate 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
- TD9100000
- ridadr
- 3018
- hs_code
- 2934208090
- risk_code
- 28-67-65-62-51/53-48/20-38-11
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+,N,Xn,F
Chemistry & industry
Applications
UsesPhorate Sulfone is a metabolite of Phorate (85%, P353500) which is a non-biocumulative organophosphate used as an insecticide and acaricide. Phorate is an inhibitor of acetylcholinesterase and pseudocholinesterase.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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