ChemSpider 2D Image | 4,6-Bis[(4-chlorophenyl)sulfanyl]-2-pyrimidinamine | C16H11Cl2N3S2

4,6-Bis[(4-chlorophenyl)sulfanyl]-2-pyrimidinamine

  • Molecular FormulaC16H11Cl2N3S2
  • Average mass380.315 Da
  • Monoisotopic mass378.977142 Da
  • ChemSpider ID24730928

More details:

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

2-Pyrimidinamine, 4,6-bis[(4-chlorophenyl)thio]- [ACD/Index Name]
4,6-Bis[(4-chlorophenyl)sulfanyl]-2-pyrimidinamine [ACD/IUPAC Name]
4,6-Bis[(4-chlorophényl)sulfanyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
4,6-Bis[(4-chlorphenyl)sulfanyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 635.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.1±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26242.86
ACD/KOC (pH 5.5): 50665.51
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26243.06
ACD/KOC (pH 7.4): 50665.89
Polar Surface Area: 102 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 248.6±5.0 cm3

Click to predict properties on the Chemicalize site


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