Fenthion oxon sulfoxide

Synonyms: Fenoxon sulfoxide, "Fenthion oxon sulfoxide", "Fenthoxon Sulfoxide", "Dimethyl 3-methyl-4-(methylsulfinyl)phenyl phosphate", "Dimethyl 4-(methylsulfinyl)-m-tolyl phosphate", "Fenthion-oxon-sulfoxide", "Phosphoric acid, dimethyl 3-methyl-4-(methylsulfinyl)phenyl ester", "dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate", "Fenthion O-analog sulfoxide".

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

Identifiers:

IUPAC Name: dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate
CAS Number: 6552-13-2
PubChem ID: 23047
InChiKey: GTZCKTIZOGTWQO-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)C

Structural Properties:

Molecular Formula: C₁₀H₁₅O₅PS
Molecular Weight: 278,260

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 17

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

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.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure