ChemSpider 2D Image | 2-[({5-Methyl-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-pyrimidinamine | C14H16N6S2

2-[({5-Methyl-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-pyrimidinamine

  • Molecular FormulaC14H16N6S2
  • Average mass332.447 Da
  • Monoisotopic mass332.087799 Da
  • ChemSpider ID30386389

More details:

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

2-[({5-Methyl-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-[({5-Methyl-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-pyrimidinamine [ACD/IUPAC Name]
2-[({5-Méthyl-4-[2-(2-thiényl)éthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, 2-[[[5-methyl-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-3-yl]thio]methyl]- [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: 583.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.5±32.9 °C
Index of Refraction: 1.755
Molar Refractivity: 92.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.39
ACD/KOC (pH 5.5): 344.74
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.41
ACD/KOC (pH 7.4): 372.15
Polar Surface Area: 136 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 227.0±7.0 cm3

Click to predict properties on the Chemicalize site


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