ChemSpider 2D Image | 5,6-Dimethyl-3-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-4-pyridazinecarbonitrile | C10H9N5S3

5,6-Dimethyl-3-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-4-pyridazinecarbonitrile

  • Molecular FormulaC10H9N5S3
  • Average mass295.407 Da
  • Monoisotopic mass295.002014 Da
  • ChemSpider ID47313214

More details:

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

4-Pyridazinecarbonitrile, 5,6-dimethyl-3-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]- [ACD/Index Name]
5,6-Dimethyl-3-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-4-pyridazincarbonitril [German] [ACD/IUPAC Name]
5,6-Dimethyl-3-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-4-pyridazinecarbonitrile [ACD/IUPAC Name]
5,6-Diméthyl-3-{[5-(méthylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-4-pyridazinecarbonitrile [French] [ACD/IUPAC 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: 599.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.3±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 75.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.47
ACD/KOC (pH 5.5): 456.70
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.47
ACD/KOC (pH 7.4): 456.70
Polar Surface Area: 154 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 197.5±5.0 cm3

Click to predict properties on the Chemicalize site


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