ChemSpider 2D Image | 2-(4-Methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethanamine | C10H16N6S

2-(4-Methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethanamine

  • Molecular FormulaC10H16N6S
  • Average mass252.339 Da
  • Monoisotopic mass252.115707 Da
  • ChemSpider ID57633471

More details:

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

2-(4-Methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethanamin [German] [ACD/IUPAC Name]
2-(4-Methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethanamine [ACD/IUPAC Name]
2-(4-Méthyl-5-{[(1-méthyl-1H-pyrazol-5-yl)méthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)éthanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-ethanamine, 4-methyl-5-[[(1-methyl-1H-pyrazol-5-yl)methyl]thio]- [ACD/Index Name]
2-(4-methyl-5-{[(1-methyl-1H-pyrazol-5-yl)methyl]thio}-4H-1,2,4-triazol-3-yl)ethanamine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 492.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.5±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 70.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -2.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 100 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 181.9±7.0 cm3

Click to predict properties on the Chemicalize site


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