ChemSpider 2D Image | 5-Chloro-N-methyl-4-(2-pyrimidinylsulfanyl)-2-pyrimidinamine | C9H8ClN5S

5-Chloro-N-methyl-4-(2-pyrimidinylsulfanyl)-2-pyrimidinamine

  • Molecular FormulaC9H8ClN5S
  • Average mass253.711 Da
  • Monoisotopic mass253.018890 Da
  • ChemSpider ID36496110

More details:

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

2-Pyrimidinamine, 5-chloro-N-methyl-4-(2-pyrimidinylthio)- [ACD/Index Name]
5-Chlor-N-methyl-4-(2-pyrimidinylsulfanyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-N-methyl-4-(2-pyrimidinylsulfanyl)-2-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-N-méthyl-4-(2-pyrimidinylsulfanyl)-2-pyrimidinamine [French] [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: 487.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.3±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.17
ACD/KOC (pH 5.5): 183.14
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.18
ACD/KOC (pH 7.4): 183.15
Polar Surface Area: 89 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 170.8±5.0 cm3

Click to predict properties on the Chemicalize site


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