Terbufoxon sulfoxide
Basic information
- CAS
56165-57-2- Standard SMILES
CCOP(=O)(OCC)SCS(=O)C(C)(C)C- InChIKey
KHPIRTIPNKMGNN-UHFFFAOYSA-N- Molecular formula
- C9H21O4PS2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.06188849
Names & identifiers
- Preferred name
- Terbufoxon sulfoxide
- IUPAC
- 2-(diethoxyphosphorylsulfanylmethylsulfinyl)-2-methylpropane
- English name
- Terbufos-oxon-sulfoxide
- Molecular formula
- C9H21O4PS2
- Molecular weight
- 288.37
Names & synonyms
Terbufoxon sulfoxide56165-57-2Terbufos oxon sulfoxidePhosphorothioic acid, S-(((1,1-dimethylethyl)sulfinyl)methyl) O,O-diethyl esterPhosphorothioic acid, S-[[(1,1-dimethylethyl)sulfinyl]methyl] O,O-diethyl esterRefChem:382874Terbufos-oxon-sulfoxide2-(diethoxyphosphorylsulfanylmethylsulfinyl)-2-methylpropanediethyl {[(2-methylpropane-2-sulfinyl)methyl]sulfanyl}phosphonateKHPIRTIPNKMGNN-UHFFFAOYSA-NTerbufos sulfoxide-oxon2-(diethoxyphosphorylsulfanylmethylsulfinyl)-2-methyl-propane
Show more names
Terfuboxon SulfoxideProstacyclin Impurity 4terbufos-o-analogue sulfoxideTerbufos-o-analogue sulfoxide Solution, 100ppmTerbufos-oxon-sulfoxide 10 μg/mL in AcetonitrileTerbufos-oxon-sulfoxide, 10 μg /μL in acetonitrile
DTXSID00971544GCA16557HY-N8067MSK20638AKOS030255055NS00015075Terbufos-oxon-sulfoxide 10 |Ig/mL in AcetonitrileTerbufos-oxon-sulfoxide 10 microg/mL in Acetonitrile
Database identifiers
- CAS
56165-57-2- PubChem CID
- 92037
- DTXSID
DTXSID00971544- Nikkaji
- J846.319K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
PesticidesPesticide degradation product
LogP2.66
Physicochemical properties
- Boiling point
- 388.9 · 388.9±44.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil to Low-Melting Solid
- color
- Colourless to Off-White
- EPA Substance Registry System
- Phosphorothioic acid, S-[[(1,1-dimethylethyl)sulfinyl]methyl] O,O-diethyl ester (56165-57-2)
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
Terbufos oxon 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
Chemistry & industry
Applications
UsesTerbufoxon Sulfoxide is a metabolite of Terbufoxon (T109075), a pesticide used in the protection of fruit and vegetable crops against insects. Acetylcholinesterase inhibitor.
Related reactions
1 records
Compound notes
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