Found 159 results

Search term: MF = 'C_{16}H_{20}FN_{3}O_{2}S_{2}'
ChemSpider 2D Image | N-{3-[(4-Fluorobenzyl)sulfanyl]propyl}-2-methyl-5-(methylsulfonyl)-4-pyrimidinamine | C16H20FN3O2S2

N-{3-[(4-Fluorobenzyl)sulfanyl]propyl}-2-methyl-5-(methylsulfonyl)-4-pyrimidinamine

  • Molecular FormulaC16H20FN3O2S2
  • Average mass369.477 Da
  • Monoisotopic mass369.098083 Da
  • ChemSpider ID29487087

More details:

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

4-Pyrimidinamine, N-[3-[[(4-fluorophenyl)methyl]thio]propyl]-2-methyl-5-(methylsulfonyl)- [ACD/Index Name]
N-{3-[(4-Fluorbenzyl)sulfanyl]propyl}-2-methyl-5-(methylsulfonyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-{3-[(4-Fluorobenzyl)sulfanyl]propyl}-2-methyl-5-(methylsulfonyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-{3-[(4-Fluorobenzyl)sulfanyl]propyl}-2-méthyl-5-(méthylsulfonyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-(3-{[(4-FLUOROPHENYL)METHYL]SULFANYL}PROPYL)-5-METHANESULFONYL-2-METHYLPYRIMIDIN-4-AMINE
N-{3-[(4-fluorobenzyl)thio]propyl}-2-methyl-5-(methylsulfonyl)pyrimidin-4-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 583.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 306.9±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.33
ACD/KOC (pH 5.5): 1509.91
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.56
ACD/KOC (pH 7.4): 1519.47
Polar Surface Area: 106 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

Click to predict properties on the Chemicalize site


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