ChemSpider 2D Image | (R)-penthiopyrad | C16H20F3N3OS

(R)-penthiopyrad

  • Molecular FormulaC16H20F3N3OS
  • Average mass359.410 Da
  • Monoisotopic mass359.127930 Da
  • ChemSpider ID34448699

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-penthiopyrad
1H-Pyrazole-4-carboxamide, N-[2-[(1R)-1,3-dimethylbutyl]-3-thienyl]-1-methyl-3-(trifluoromethyl)- [ACD/Index Name]
1-Methyl-N-{2-[(2R)-4-methyl-2-pentanyl]-3-thienyl}-3-(trifluormethyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1-Methyl-N-{2-[(2R)-4-methyl-2-pentanyl]-3-thienyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-Méthyl-N-{2-[(2R)-4-méthyl-2-pentanyl]-3-thiényl}-3-(trifluorométhyl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
183675-82-3 [RN]
1-methyl-N-{2-[(2R)-4-methylpentan-2-yl]-3-thienyl}-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
penthiopyrad [BSI] [ISO]
UNII-FAT7900E5H
  • Miscellaneous

    • Chemical Class:

      A 1-methyl-<element>N</element>-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)pyrazole-4-carboxamide that is the (<stereo>R</stereo>)-enantiomer of penthiopyrad. ChEBI CHEBI:83141
      A 1-methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)pyrazole-4-carboxamide that is the (R)-enantiomer of penthiopyrad. ChEBI CHEBI:83141

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

Density: 1.3±0.1 g/cm3
Boiling Point: 381.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 184.4±27.9 °C
Index of Refraction: 1.561
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 346.65
ACD/KOC (pH 5.5): 2289.09
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 346.65
ACD/KOC (pH 7.4): 2289.08
Polar Surface Area: 75 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 36.3±7.0 dyne/cm
Molar Volume: 275.7±7.0 cm3

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