ChemSpider 2D Image | {4-Oxo-2-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-3(4H)-quinazolinyl}acetonitrile | C13H9N5OS2

{4-Oxo-2-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-3(4H)-quinazolinyl}acetonitrile

  • Molecular FormulaC13H9N5OS2
  • Average mass315.374 Da
  • Monoisotopic mass315.024841 Da
  • ChemSpider ID22578895

More details:

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

{4-Oxo-2-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-3(4H)-chinazolinyl}acetonitril [German] [ACD/IUPAC Name]
{4-Oxo-2-[(1,3,4-thiadiazol-2-ylsulfanyl)methyl]-3(4H)-quinazolinyl}acetonitrile [ACD/IUPAC Name]
{4-Oxo-2-[(1,3,4-thiadiazol-2-ylsulfanyl)méthyl]-3(4H)-quinazolinyl}acétonitrile [French] [ACD/IUPAC Name]
3(4H)-Quinazolineacetonitrile, 4-oxo-2-[(1,3,4-thiadiazol-2-ylthio)methyl]- [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: 560.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±32.9 °C
Index of Refraction: 1.787
Molar Refractivity: 86.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.10
ACD/KOC (pH 5.5): 141.54
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.10
ACD/KOC (pH 7.4): 141.54
Polar Surface Area: 136 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 204.4±7.0 cm3

Click to predict properties on the Chemicalize site


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