ChemSpider 2D Image | 2-(4H-3,1-Benzothiazin-2-ylsulfanyl)propanenitrile | C11H10N2S2

2-(4H-3,1-Benzothiazin-2-ylsulfanyl)propanenitrile

  • Molecular FormulaC11H10N2S2
  • Average mass234.340 Da
  • Monoisotopic mass234.028534 Da
  • ChemSpider ID35443893

More details:

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

2-(4H-3,1-Benzothiazin-2-ylsulfanyl)propanenitrile [ACD/IUPAC Name]
2-(4H-3,1-Benzothiazin-2-ylsulfanyl)propanenitrile [French] [ACD/IUPAC Name]
2-(4H-3,1-Benzothiazin-2-ylsulfanyl)propannitril [German] [ACD/IUPAC Name]
Propanenitrile, 2-(4H-3,1-benzothiazin-2-ylthio)- [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: 421.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 208.8±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 68.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.18
ACD/KOC (pH 5.5): 707.15
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.20
ACD/KOC (pH 7.4): 707.34
Polar Surface Area: 87 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 182.3±7.0 cm3

Click to predict properties on the Chemicalize site


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