Basic information
- CAS
2496-91-5- Standard SMILES
CCOP(=O)(OCC)SCCS(=O)(=O)CC- InChIKey
VMXCTQSDRPKAOC-UHFFFAOYSA-N- Molecular formula
- C8H19O5PS2
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.04115305
Names & identifiers
- Preferred name
- Demeton-S sulfone
- IUPAC
- 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane
- English name
- disulfoton-oxon-sulfon
- Molecular formula
- C8H19O5PS2
- Molecular weight
- 290.34
Names & synonyms
Demeton-S Sulfone2496-91-5Demeton sulfoneIso-systox sulfoneDemeton thiol sulfoneDEMETON-S-SULFONEDemeton S-sulfoneUNII-Z3A90H8X3ABRN 1713526Z3A90H8X3AAI3-24401Disulfoton oxon sulfone
Show more names
Danazol Impurity 6Dimetonthiol sulfoneDisulfoton-oxon-sulfoneDemeton-S-sulfone SolutionCA12982200 Disulfoton-oxon-sulfone
4-01-00-02465 (Beilstein Handbook Reference)O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] phosphorothioateO,O-DIETHYLPHOSPHOROTHIOIC ACID S-(2-(ETHYLSULFONYL)ETHYL) ESTERO,O-Diethyl S-(2-(ethylsulfonyl)ethyl) phosphorothioateRefChem:131779VMXCTQSDRPKAOC-UHFFFAOYSA-NIsosystox SulfoneIsodemeton-sulfone
Database identifiers
- CAS
2496-91-5- PubChem CID
- 17239
- DTXSID
DTXSID6042230- UNII
- Z3A90H8X3A
- EC Number
- 875-657-7
- Nikkaji
- J10.344F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
Pesticides
Pesticide (Demeton-S sulfone) -> USDA PDB
Pesticide degradation product
Physicochemical properties
- Boiling point
- 160 °C · 160 °C(Press: 0.2 Torr)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- FDA UNII
- 3 A90H8X3A · Z3A90H8X3A
- EPA Substance Registry System
- 2 · Phosphorothioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester (2496-91-5)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 400 · H400-H310-H300
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-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 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
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H400-H310-H300
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Applications
UsesA metabolite of Demeton-S (D231360).
Suppliers16 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
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]
常州翔龙医药科技有限公司18661161657 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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