Fenthion oxon sulfone

Synonyms: Fenthion oxon sulfone, "Fenoxon sulfone", "Fenthoxon Sulfone", "Fenthion O-analog sulfone", "14086-35-2", "Dimethyl 4-(methylsulfonyl)-m-tolyl phosphate", "dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate", "Fenthion-oxon-sulfone", "Phosphoric acid, dimethyl 3-methyl-4-(methylsulfonyl)phenyl ester", "Fenthion-oxon-sulfone 10 microg/mL in Acetonitrile"

Source: Fenthion oxon sulfone is a metabolite of the pesticide fenthion.

Identifiers:

IUPAC Name: dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate
CAS Number: 14086-35-2
PubChem ID: 26449
InChiKey: VUTHWSUXEOILTN-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C

Structural Properties:

Molecular Formula: C₁₀H₁₅O₆PS
Molecular Weight: 294,260

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 18

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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