ChemSpider 2D Image | 5-Chloro-N-methyl-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-pyrimidinamine | C8H9ClN6S

5-Chloro-N-methyl-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-pyrimidinamine

  • Molecular FormulaC8H9ClN6S
  • Average mass256.715 Da
  • Monoisotopic mass256.029785 Da
  • ChemSpider ID36501056

More details:

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

2-Pyrimidinamine, 5-chloro-N-methyl-4-[(5-methyl-4H-1,2,4-triazol-3-yl)thio]- [ACD/Index Name]
5-Chlor-N-methyl-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-N-methyl-4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-N-méthyl-4-[(5-méthyl-4H-1,2,4-triazol-3-yl)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: 527.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.6±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 117.76
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.43
ACD/KOC (pH 7.4): 94.99
Polar Surface Area: 105 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 166.4±5.0 cm3

Click to predict properties on the Chemicalize site


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