Fensulfothion sulfone
Basic information
- CAS
14255-72-2- Standard SMILES
CCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1- InChIKey
VTFZEBCYVXMEBB-UHFFFAOYSA-N- Molecular formula
- C11H17O5PS2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.02550298
Overview
metabolite of fensulfothion
Names & identifiers
- Preferred name
- Fensulfothion sulfone
- IUPAC
- diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-λ5-phosphane
- English name
- fensulfothion sulfone
- Molecular formula
- C11H17O5PS2
- Molecular weight
- 0
Names & synonyms
FENSULFOTHION SULFONE14255-72-2DTXSID80162079RefChem:140212DTXCID9084570Dasanit sulfoneFensulfothion-sulfoneDasanit sulphoneO,O-Diethyl O-(p-methylsulfonyl)phenyl phosphorothioateDiethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphanePhosphorothioic acid, O,O-diethyl O-(4-(methylsulfonyl)phenyl) esterPhosphorothioic acid, O,O-diethyl O-(p-methylsulfonyl)phenyl ester
Show more names
Phenyl Acetate Impurity 27C13570020 Fensulfothion-sulfoneFensulfothion-sulfone 100 μg/ml TolueneFensulfothion-sulfone 100 μg/ml CyclohexaneFensulfothion-sulfone 100 μg/ml AcetonitrileXA13570020CY Fensulfothion-sulfonE100μg/mLinFensulfothion-sulfone 100 μg/mL in CyclohexaneThiophosphoric acid O,O-diethyl O-(p-methylsulfonylphenyl) esterdiethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-$l^{5}-phosphaneThiophosphoric acid O,O-diethyl O-[4-(methylsulfonyl)phenyl] ester
BRN 2003553orb3238060SCHEMBL23646025VTFZEBCYVXMEBB-UHFFFAOYSA-NMSK20641Phosphorothioic acid, diethyl O-(p-(methylsulfonyl)phenyl) esterNS00002653Fensulfothion-sulfone 100 |Ig/mL in Cyclohexane
Database identifiers
- CAS
14255-72-2- PubChem CID
- 26595
- DTXSID
DTXSID80162079- Nikkaji
- J8.490E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Experimental & physicochemical properties
LogP2.56
Physicochemical properties
- Density
- 1.2 · 1.2000 (rough estimate)
- refractive index
- 1.521 · 1.5210 (estimate)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Very Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- color
- White to Off-White
- Water Solubility
- 116 mg/L · 116mg/L(30 ºC)
- Stability
- Hygroscopic
- InChI
- InChI=1S/C11H17O5PS2/c1-4-14-17(18,15-5-2)16-10-6-8-11(9-7-10)19(3,12)13/h6-9H,4-5H2,1-3H3
- InChIKey
- VTFZEBCYVXMEBB-UHFFFAOYSA-N
- SMILES
- P(=S)(OCC)(OCC)OC1=CC=C(S(=O)(=O)C)C=C1
Chemistry & industry
Applications
UsesFensulfothion Sulfone is a metabolite of the insecticide fensulfonthion (F265490), an inhibitor of cholinesterase activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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