ChemSpider 2D Image | CSID:30659532 | C18H14N4S3

  • Molecular FormulaC18H14N4S3
  • Average mass382.526 Da
  • Monoisotopic mass382.038055 Da
  • ChemSpider ID30659532

More details:

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

Density: 1.7±0.1 g/cm3
Boiling Point: 500.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.6±32.9 °C
Index of Refraction: 1.938
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 91 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 76.2±7.0 dyne/cm
Molar Volume: 224.0±7.0 cm3

Click to predict properties on the Chemicalize site


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