ChemSpider 2D Image | N~2~-{2-[(4-Ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-N~4~,N~4~,5-trimethyl-2,4-pyrimidinediamine | C14H23N7S

N2-{2-[(4-Ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-N4,N4,5-trimethyl-2,4-pyrimidinediamine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID29570800

More details:






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

2,4-Pyrimidinediamine, N2-[2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl]-N4,N4,5-trimethyl- [ACD/Index Name]
N2-{2-[(4-Ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-N4,N4,5-trimethyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
N2-{2-[(4-Ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-N4,N4,5-trimethyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
N2-{2-[(4-Éthyl-5-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]éthyl}-N4,N4,5-triméthyl-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N2-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}-N4,N4,5-trimethylpyrimidine-2,4-diamine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 542.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.7±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.43
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 17.57
ACD/KOC (pH 7.4): 165.03
Polar Surface Area: 97 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 256.3±7.0 cm3

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