ChemSpider 2D Image | 2-[(3-Fluorobenzyl)sulfanyl]-6-methyl-4-pyrimidinamine | C12H12FN3S

2-[(3-Fluorobenzyl)sulfanyl]-6-methyl-4-pyrimidinamine

  • Molecular FormulaC12H12FN3S
  • Average mass249.307 Da
  • Monoisotopic mass249.073593 Da
  • ChemSpider ID34453170

More details:

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

2-[(3-Fluorbenzyl)sulfanyl]-6-methyl-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-[(3-Fluorobenzyl)sulfanyl]-6-methyl-4-pyrimidinamine [ACD/IUPAC Name]
2-[(3-Fluorobenzyl)sulfanyl]-6-méthyl-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, 2-[[(3-fluorophenyl)methyl]thio]-6-methyl- [ACD/Index Name]
1325552-84-8 [RN]
2-{[(3-fluorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-amine
MFCD17670606

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

Density: 1.3±0.1 g/cm3
Boiling Point: 427.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 212.3±27.3 °C
Index of Refraction: 1.633
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 66.90
ACD/KOC (pH 5.5): 669.67
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.99
ACD/KOC (pH 7.4): 800.73
Polar Surface Area: 77 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 190.6±5.0 cm3

Click to predict properties on the Chemicalize site


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