Fenthion oxon

Synonyms: Fenthion oxon, "Fenoxon", "Fenthoxon", "Bayoxon", "Fenthion-oxon", "Dimethyl 4-(methylthio)-m-tolyl phosphate", "Dimethyl 3-methyl-4-(methylthio)phenyl phosphate", "Phosphoric acid, dimethyl 4-(methylthio)-m-tolyl ester", "Phosphoric acid, dimethyl 3-methyl-4-(methylthio)phenyl ester", "dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate", "Fenthion O-analog"

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

Identifiers:

IUPAC Name: dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate
CAS Number: 01/12/6552
PubChem ID: 23046
InChiKey: ZNRZGJAHNMGWQN-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC

Structural Properties:

Molecular Formula: C₁₀H₁₅O₄PS
Molecular Weight: 262,260

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 5
Number of atoms different from hydrogen: 16

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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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