ChemSpider 2D Image | 6-chloro-2-methylsulfanyl-N-phenethyl-pyrimidin-4-amine | C13H14ClN3S

6-chloro-2-methylsulfanyl-N-phenethyl-pyrimidin-4-amine

  • Molecular FormulaC13H14ClN3S
  • Average mass279.788 Da
  • Monoisotopic mass279.059692 Da
  • ChemSpider ID24731002

More details:

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

330658-02-1 [RN]
6-chloro-2-(methylsulfanyl)-N-(2-phenylethyl)pyrimidin-4-amine
CS-2072
MFCD23697503 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 470.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.2±25.9 °C
Index of Refraction: 1.630
Molar Refractivity: 77.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1033.64
ACD/KOC (pH 5.5): 5003.54
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1033.71
ACD/KOC (pH 7.4): 5003.86
Polar Surface Area: 63 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 217.7±5.0 cm3

Click to predict properties on the Chemicalize site


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