ChemSpider 2D Image | N-(2-Furylmethyl)-5-[(8-nitro-5-isoquinolinyl)sulfanyl]-1,3,4-thiadiazol-2-amine | C16H11N5O3S2

N-(2-Furylmethyl)-5-[(8-nitro-5-isoquinolinyl)sulfanyl]-1,3,4-thiadiazol-2-amine

  • Molecular FormulaC16H11N5O3S2
  • Average mass385.420 Da
  • Monoisotopic mass385.030334 Da
  • ChemSpider ID31418866

More details:

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

1,3,4-Thiadiazol-2-amine, N-(2-furanylmethyl)-5-[(8-nitro-5-isoquinolinyl)thio]- [ACD/Index Name]
N-(2-Furylmethyl)-5-[(8-nitro-5-isochinolinyl)sulfanyl]-1,3,4-thiadiazol-2-amin [German] [ACD/IUPAC Name]
N-(2-Furylméthyl)-5-[(8-nitro-5-isoquinoléinyl)sulfanyl]-1,3,4-thiadiazol-2-amine [French] [ACD/IUPAC Name]
N-(2-Furylmethyl)-5-[(8-nitro-5-isoquinolinyl)sulfanyl]-1,3,4-thiadiazol-2-amine [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 645.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.0±34.3 °C
Index of Refraction: 1.759
Molar Refractivity: 100.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 304.72
ACD/KOC (pH 5.5): 2086.72
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 305.02
ACD/KOC (pH 7.4): 2088.74
Polar Surface Area: 163 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 94.4±5.0 dyne/cm
Molar Volume: 243.5±5.0 cm3

Click to predict properties on the Chemicalize site


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