Basic information
- CAS
2588-06-9- Standard SMILES
CCOP(=O)(OCC)SCS(=O)(=O)CC- InChIKey
IIMUEPCADBPEMF-UHFFFAOYSA-N- Molecular formula
- C7H17O5PS2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.02550298
Names & identifiers
- Preferred name
- Phoratoxon sulfone
- IUPAC
- 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane
- English name
- Phorate sulfone
- Molecular formula
- C7H17O5PS2
- Molecular weight
- 276.31
Names & synonyms
Phoratoxon sulfonePhorate oxon sulfonePO-Phorate sulfoneO,O-Diethyl S-(ethylsulfonyl)methyl phosphorothioateDiethyl S-ethsulfonylmethyl thiophosphateC51PS1236BPHORATOXON SULPHONEO,O-Diethyl S-ethsulfonylmethyl phosphorothioatePhosphorothioic acid, O,O-diethyl S-[(ethylsulfonyl)methyl] esterBRN 1713251UNII-C51PS1236BDTXSID6058346
Show more names
Phorate sulfonePhorate-sulphonepo-phoratesulfonephoratoxonsulfoneNitenpyram Impurity 3Phorate oxon sulfone Solutionphorate oxygen analogue sulfonediethyls-ethsulfonylmethylthiophosphate
PHOSPHOROTHIOIC ACID, O,O-DIETHYL S-((ETHYLSULFONYL)METHYL) ESTERRefChem:173452DTXCID00320774-01-00-03090 (Beilstein Handbook Reference)IIMUEPCADBPEMF-UHFFFAOYSA-N2588-06-9Phorate-oxon-sulfone1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane
Database identifiers
- CAS
2588-06-9- PubChem CID
- 17427
- DTXSID
DTXSID6058346- UNII
- C51PS1236B
- Nikkaji
- J7.622H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
Pesticides
Pesticide (Phorate oxygen analog sulfone) -> USDA PDB
Pesticide degradation product
LogP1.98
Physicochemical properties
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Light Yellow
- Stability
- Hygroscopic, Moisture Sensitive
- FDA UNII
- 20 VQB36US · R20VQB36US
- EPA Substance Registry System
- Phosphorothioic acid, O,O-diethyl S-[(ethylsulfonyl)methyl] ester (2588-06-9)
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301-H315-H336-H400-H410
- Precautionary statements
- 280 · P280
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 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
- ridadr
- 3018
- hs_code
- 2934208090
- Toxicity
- rat,LD50,oral,500ug/kg (0.5mg/kg),Pharmacological Reviews. Vol. 11, Pg. 636, 1959.
- risk_code
- 11-36/37/38-48/20-62
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS09
- hazard_code
- T,Xn,F
- safety_code
- 53-16-36/37/39-45
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H225-H301-H315-H336-H400-H410
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesPhorate Oxon Sulfone is a major metabolite of Phorate (P353500), an inhibitor of acetylcholinesterase and pseudocholinesterase.
Suppliers11 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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