ChemSpider 2D Image | 3-{[4-Amino-5-(2-methyl-2-propanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide | C9H17N5OS

3-{[4-Amino-5-(2-methyl-2-propanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide

  • Molecular FormulaC9H17N5OS
  • Average mass243.329 Da
  • Monoisotopic mass243.115387 Da
  • ChemSpider ID30573801

More details:

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

3-{[4-Amino-5-(2-methyl-2-propanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
3-{[4-Amino-5-(2-methyl-2-propanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide [ACD/IUPAC Name]
3-{[4-Amino-5-(2-méthyl-2-propanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
Propanamide, 3-[[4-amino-5-(1,1-dimethylethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 527.6±52.0 °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: 272.9±30.7 °C
Index of Refraction: 1.641
Molar Refractivity: 64.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.26
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.29
Polar Surface Area: 125 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 177.4±7.0 cm3

Click to predict properties on the Chemicalize site


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