ChemSpider 2D Image | 4-Chloro-6-[(5-methyl-2-pyrimidinyl)sulfanyl]-2-pyrimidinamine | C9H8ClN5S

4-Chloro-6-[(5-methyl-2-pyrimidinyl)sulfanyl]-2-pyrimidinamine

  • Molecular FormulaC9H8ClN5S
  • Average mass253.711 Da
  • Monoisotopic mass253.018890 Da
  • ChemSpider ID36364736

More details:

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

2-Pyrimidinamine, 4-chloro-6-[(5-methyl-2-pyrimidinyl)thio]- [ACD/Index Name]
4-Chlor-6-[(5-methyl-2-pyrimidinyl)sulfanyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-Chloro-6-[(5-methyl-2-pyrimidinyl)sulfanyl]-2-pyrimidinamine [ACD/IUPAC Name]
4-Chloro-6-[(5-méthyl-2-pyrimidinyl)sulfanyl]-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: 556.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.1±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.45
ACD/KOC (pH 5.5): 146.47
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.45
ACD/KOC (pH 7.4): 146.47
Polar Surface Area: 103 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 166.4±5.0 cm3

Click to predict properties on the Chemicalize site


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