Found 1 result

Search term: Cc1c2c(nc(nc2sc1Sc3cccc(c3)OC(F)(F)F)N)N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 5-Methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine | C14H11F3N4OS2

5-Methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine

  • Molecular FormulaC14H11F3N4OS2
  • Average mass372.388 Da
  • Monoisotopic mass372.032623 Da
  • ChemSpider ID59052504

More details:

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

5-Methyl-6-{[3-(trifluormethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidin-2,4-diamin [German] [ACD/IUPAC Name]
5-Methyl-6-{[3-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine [ACD/IUPAC Name]
5-Méthyl-6-{[3-(trifluorométhoxy)phényl]sulfanyl}thiéno[2,3-d]pyrimidine-2,4-diamine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-2,4-diamine, 5-methyl-6-[[3-(trifluoromethoxy)phenyl]thio]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 552.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 37.42
ACD/KOC (pH 5.5): 198.62
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 596.05
ACD/KOC (pH 7.4): 3163.84
Polar Surface Area: 141 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 233.8±5.0 cm3

Click to predict properties on the Chemicalize site


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