ChemSpider 2D Image | MFCD20264916 | C18H11D3F3N3O4S

MFCD20264916

  • Molecular FormulaC18H11D3F3N3O4S
  • Average mass428.400 Da
  • Monoisotopic mass428.084534 Da
  • ChemSpider ID48063449

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2H3)Methyl-3-(3-methyl-4-{4-[(trifluormethyl)sulfanyl]phenoxy}phenyl)-1,3,5-triazinan-2,4,6-trion [German] [ACD/IUPAC Name]
1-(2H3)Methyl-3-(3-methyl-4-{4-[(trifluoromethyl)sulfanyl]phenoxy}phenyl)-1,3,5-triazinane-2,4,6-trione [ACD/IUPAC Name]
1-(2H3)Méthyl-3-(3-méthyl-4-{4-[(trifluorométhyl)sulfanyl]phénoxy}phényl)-1,3,5-triazinane-2,4,6-trione [French] [ACD/IUPAC Name]
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(methyl-d3)-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]- [ACD/Index Name]
1353867-75-0 [RN]
1-Methyl-d3-3-{3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl}-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
MFCD20264916
Toltrazuril-(N-methyl-d3)
1-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-3-(trideuteriomethyl)-1,3,5-triazinane-2,4,6-trione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 294.55
ACD/KOC (pH 5.5): 1979.92
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 37.27
ACD/KOC (pH 7.4): 250.51
Polar Surface Area: 104 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 274.9±5.0 cm3

Click to predict properties on the Chemicalize site


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