ChemSpider 2D Image | 3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile | C11H10N2S2

3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile

  • Molecular FormulaC11H10N2S2
  • Average mass234.340 Da
  • Monoisotopic mass234.028534 Da
  • ChemSpider ID35370933

More details:

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

3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitril [German] [ACD/IUPAC Name]
3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)methyl]benzonitrile [ACD/IUPAC Name]
3-[(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[(4,5-dihydro-2-thiazolyl)thio]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 409.0±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.2±24.0 °C
Index of Refraction: 1.674
Molar Refractivity: 68.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 47.92
ACD/KOC (pH 5.5): 553.22
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.53
ACD/KOC (pH 7.4): 560.35
Polar Surface Area: 87 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 183.2±7.0 cm3

Click to predict properties on the Chemicalize site


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