ChemSpider 2D Image | 2-{[(6-Chloro-3-pyridinyl)methyl]sulfanyl}-4,6-pyrimidinediamine | C10H10ClN5S

2-{[(6-Chloro-3-pyridinyl)methyl]sulfanyl}-4,6-pyrimidinediamine

  • Molecular FormulaC10H10ClN5S
  • Average mass267.738 Da
  • Monoisotopic mass267.034546 Da
  • ChemSpider ID31450748

More details:

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

2-{[(6-Chlor-3-pyridinyl)methyl]sulfanyl}-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
2-{[(6-Chloro-3-pyridinyl)methyl]sulfanyl}-4,6-pyrimidinediamine [ACD/IUPAC Name]
2-{[(6-Chloro-3-pyridinyl)méthyl]sulfanyl}-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
4,6-Pyrimidinediamine, 2-[[(6-chloro-3-pyridinyl)methyl]thio]- [ACD/Index 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: 561.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±30.1 °C
Index of Refraction: 1.714
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 10.37
ACD/KOC (pH 5.5): 170.49
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.94
ACD/KOC (pH 7.4): 229.13
Polar Surface Area: 116 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 92.6±5.0 dyne/cm
Molar Volume: 177.2±5.0 cm3

Click to predict properties on the Chemicalize site


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