ChemSpider 2D Image | 5-Chloro-N-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyrimidinamine | C8H9ClN6S

5-Chloro-N-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyrimidinamine

  • Molecular FormulaC8H9ClN6S
  • Average mass256.715 Da
  • Monoisotopic mass256.029785 Da
  • ChemSpider ID36497397

More details:

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

2-Pyrimidinamine, 5-chloro-N-ethyl-4-(1H-1,2,4-triazol-5-ylthio)- [ACD/Index Name]
5-Chlor-N-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-N-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-N-éthyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-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: 510.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.6±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.25
ACD/KOC (pH 5.5): 170.68
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 5.55
ACD/KOC (pH 7.4): 102.46
Polar Surface Area: 105 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 92.3±5.0 dyne/cm
Molar Volume: 166.8±5.0 cm3

Click to predict properties on the Chemicalize site


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