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Home > Encyclopedia > 1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion

1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion

1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion structure

1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion 

structure
  • CAS No:

    69004-15-5

  • Formula:

    C18H14F3N3O5S

  • Chemical Name:

    1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion

  • Synonyms:

    1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion;Toltrazurilsulfoxide;rac Toltrazuril Sulfoxide

  • Categories:

    Chemical Reagents  >  Organic Reagents

1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion Basic Attributes

441.381

441.06100

DTXSID70437844

Characteristics

115

2.81830

Safety Information

NONH for all modes of transport

3

1-Methyl-3-{3-methyl-4-[4-(trifluormethylsulfinyl)-phenoxy]-phenyl}-1,3,5-triazin-2,4,6(1H,3H,5H)-trion Use and Manufacturing

Toltrazuril metabolite.

Computed Properties

Molecular Weight:441.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:441.06062622
Monoisotopic Mass:441.06062622
Topological Polar Surface Area:115
Heavy Atom Count:30
Complexity:726
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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