ChemSpider 2D Image | 2-{[5-(Aminomethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylpropanamide | C9H17N5OS

2-{[5-(Aminomethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylpropanamide

  • Molecular FormulaC9H17N5OS
  • Average mass243.329 Da
  • Monoisotopic mass243.115387 Da
  • ChemSpider ID43478819

More details:

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

2-{[5-(Aminomethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylpropanamid [German] [ACD/IUPAC Name]
2-{[5-(Aminomethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylpropanamide [ACD/IUPAC Name]
2-{[5-(Aminométhyl)-4-méthyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diméthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[5-(aminomethyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N,N-dimethyl- [ACD/Index Name]
2-{[5-(aminomethyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-N,N-dimethylpropanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 435.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 217.0±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.46
Polar Surface Area: 102 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 185.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement