ChemSpider 2D Image | N-Butyl-N'-(4-fluorophenyl)-1,2,5-thiadiazole-3,4-diamine 1-oxide | C12H15FN4OS

N-Butyl-N'-(4-fluorophenyl)-1,2,5-thiadiazole-3,4-diamine 1-oxide

  • Molecular FormulaC12H15FN4OS
  • Average mass282.337 Da
  • Monoisotopic mass282.095062 Da
  • ChemSpider ID24809002

More details:

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

1,2,5-Thiadiazole-3,4-diamine, N3-butyl-N4-(4-fluorophenyl)-, 1-oxide [ACD/Index Name]
1-Oxyde de N-butyl-N'-(4-fluorophényl)-1,2,5-thiadiazole-3,4-diamine [French] [ACD/IUPAC Name]
N-Butyl-N'-(4-fluorophenyl)-1,2,5-thiadiazole-3,4-diamine 1-oxide [ACD/IUPAC Name]
N-Butyl-N'-(4-fluorphenyl)-1,2,5-thiadiazol-3,4-diamin-1-oxid [German] [ACD/IUPAC Name]
Kinome_797

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

Density: 1.4±0.1 g/cm3
Boiling Point: 407.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.3±29.3 °C
Index of Refraction: 1.660
Molar Refractivity: 73.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.62
ACD/KOC (pH 5.5): 87.31
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.62
ACD/KOC (pH 7.4): 87.39
Polar Surface Area: 85 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 198.8±7.0 cm3

Click to predict properties on the Chemicalize site


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