ChemSpider 2D Image | 2-{[4-Amino-5-(tetrahydro-3-furanylsulfanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide | C12H21N5O2S2

2-{[4-Amino-5-(tetrahydro-3-furanylsulfanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide

  • Molecular FormulaC12H21N5O2S2
  • Average mass331.457 Da
  • Monoisotopic mass331.113678 Da
  • ChemSpider ID65050452

More details:

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

2-{[4-Amino-5-(tetrahydro-3-furanylsulfanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamid [German] [ACD/IUPAC Name]
2-{[4-Amino-5-(tetrahydro-3-furanylsulfanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(tétrahydro-3-furanylsulfanyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diéthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-[(tetrahydro-3-furanyl)thio]-4H-1,2,4-triazol-3-yl]thio]-N,N-diethyl- [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: 566.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.4±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 86.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 51.78
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 51.78
Polar Surface Area: 137 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 227.7±7.0 cm3

Click to predict properties on the Chemicalize site


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