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Search term: SEYZLNUADUHLHK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(2,5-Dimethylbenzyl)-N-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrimidinecarbothioamide | C21H24F3N3S

3-(2,5-Dimethylbenzyl)-N-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrimidinecarbothioamide

  • Molecular FormulaC21H24F3N3S
  • Average mass407.496 Da
  • Monoisotopic mass407.164307 Da
  • ChemSpider ID22474136

More details:

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

1(2H)-Pyrimidinecarbothioamide, 3-[(2,5-dimethylphenyl)methyl]tetrahydro-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-(2,5-Dimethylbenzyl)-N-[3-(trifluormethyl)phenyl]tetrahydro-1(2H)-pyrimidincarbothioamid [German] [ACD/IUPAC Name]
3-(2,5-Dimethylbenzyl)-N-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrimidinecarbothioamide [ACD/IUPAC Name]
3-(2,5-Diméthylbenzyl)-N-[3-(trifluorométhyl)phényl]tétrahydro-1(2H)-pyrimidinecarbothioamide [French] [ACD/IUPAC Name]
3-(2,5-dimethylbenzyl)-N-[3-(trifluoromethyl)phenyl]tetrahydropyrimidine-1(2H)-carbothioamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 463.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.3±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 919.80
ACD/KOC (pH 5.5): 3386.91
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2641.59
ACD/KOC (pH 7.4): 9726.87
Polar Surface Area: 51 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 319.4±3.0 cm3

Click to predict properties on the Chemicalize site


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