ChemSpider 2D Image | 1-[2-(Dimethylamino)ethyl]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(1H-1,2,4-triazol-3-yl)thiourea | C11H20N6O2S2

1-[2-(Dimethylamino)ethyl]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(1H-1,2,4-triazol-3-yl)thiourea

  • Molecular FormulaC11H20N6O2S2
  • Average mass332.445 Da
  • Monoisotopic mass332.108917 Da
  • ChemSpider ID60461543

More details:

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

1-[2-(Dimethylamino)ethyl]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(1H-1,2,4-triazol-3-yl)thioharnstoff [German] [ACD/IUPAC Name]
1-[2-(Dimethylamino)ethyl]-1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-(1H-1,2,4-triazol-3-yl)thiourea [ACD/IUPAC Name]
1-[2-(Diméthylamino)éthyl]-1-(1,1-dioxydotétrahydro-3-thiophényl)-3-(1H-1,2,4-triazol-3-yl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[2-(dimethylamino)ethyl]-N-(tetrahydro-1,1-dioxido-3-thienyl)-N'-1H-1,2,4-triazol-3-yl- [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: 571.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 230.4±5.0 cm3

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