Phorate sulfoxide
Basic information
- CAS
2588-03-6- Standard SMILES
CCOP(=S)(OCC)SCS(=O)CC- InChIKey
XRQHTUDGPWMPKX-UHFFFAOYSA-N- Molecular formula
- C7H17O3PS3
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.00774492
Names & identifiers
- Preferred name
- Phorate sulfoxide
- IUPAC
- diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-λ5-phosphane
- English name
- PHORAT-SULFOXIDE PESTANAL 100 MG
- Molecular formula
- C7H17O3PS3
- Molecular weight
- 276.38
Names & synonyms
Phorate sulfoxide2588-03-6DTXSID1042283RefChem:173451DTXCID9022283THIMET SULFOXIDEPhorate-sulfoxideO,O-Diethyl-S-ethylthionylmethylphosphorodithioatediethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphanePhosphorodithioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) esterPhosphorodithioic acid, O,O-diethyl S-[(ethylsulfinyl)methyl] esterCaswell No. 849C
Show more names
thimetsulfoxidePhosphamidon Impurity 3PHORAT-SULFOXIDE PESTANALPhorate-sulfoxide in AcetonePHORAT-SULFOXIDE PESTANAL 100 MGPhorate sulfoxide Solution, 1000ppmPhorate-sulfoxide 100 μg/ml AcetonePhorateSulfoxideSolution,100mg/L,1mlPhoratESulfoxidE100 μg/mLin Methanol
PhoratsulfoxidPhorate O-sulfoxideBRN 2504794CL 18,177Phorate-sulfoxide 100 microg/mL in AcetoneO,O-Diethyl-S-ethylthionylmethyl thionophosphateO,O-Diethyl S-eththionylmethyl thiothionophosphateSCHEMBL1713391
Database identifiers
- CAS
2588-03-6- PubChem CID
- 17424
- DTXSID
DTXSID1042283- EC Number
- 634-799-8
- Nikkaji
- J7.619H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 112 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 sulfoxide) -> USDA PDB
Pesticide degradation product
Physicochemical properties
- Boiling point
- 118.5 °C · 118.5°C
- Density
- 1.2365 g/cm3 · 1.2365 g/cm3
- refractive index
- 1.5443 · 1.5443 (20℃)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Hygroscopic, Moisture Sensitive
- Major Application
- agricultureenvironmental
- InChI
- 1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
- InChIKey
- XRQHTUDGPWMPKX-UHFFFAOYSA-N
- SMILES
- CCOP(=S)(OCC)SCS(=O)CC
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]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Phorate 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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- WGK 3
- rtecs
- TD8750000
- ridadr
- 3018
- risk_code
- 28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 28-36/37-45
- hazard_class
- 6.1(a)
- Storage Class
Chemistry & industry
Pharmacology
Metabolism/MetabolitesPhorate sulfoxide is a known human metabolite of Phorate.
Applications
UsesPhorate Sulfoxide 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.
Suppliers
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Related reactions
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Compound notes
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