ChemSpider 2D Image | 4-[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1H-pyrazole-3,5-diamine | C8H9ClN6S

4-[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1H-pyrazole-3,5-diamine

  • Molecular FormulaC8H9ClN6S
  • Average mass256.715 Da
  • Monoisotopic mass256.029785 Da
  • ChemSpider ID62942192

More details:

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

1H-Pyrazole-3,5-diamine, 4-[6-chloro-2-(methylthio)-4-pyrimidinyl]- [ACD/Index Name]
4-[6-Chlor-2-(methylsulfanyl)-4-pyrimidinyl]-1H-pyrazol-3,5-diamin [German] [ACD/IUPAC Name]
4-[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]-1H-pyrazole-3,5-diamine [ACD/IUPAC Name]
4-[6-Chloro-2-(méthylsulfanyl)-4-pyrimidinyl]-1H-pyrazole-3,5-diamine [French] [ACD/IUPAC Name]
1169690-80-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 563.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.746
Molar Refractivity: 63.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 50.45
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 50.50
Polar Surface Area: 132 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 112.2±5.0 dyne/cm
Molar Volume: 156.4±5.0 cm3

Click to predict properties on the Chemicalize site


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