ChemSpider 2D Image | 4-(1,3-Benzothiazol-2-ylsulfanyl)butanenitrile | C11H10N2S2

4-(1,3-Benzothiazol-2-ylsulfanyl)butanenitrile

  • Molecular FormulaC11H10N2S2
  • Average mass234.340 Da
  • Monoisotopic mass234.028534 Da
  • ChemSpider ID22107923

More details:

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

4-(1,3-Benzothiazol-2-ylsulfanyl)butanenitrile [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-ylsulfanyl)butanenitrile [French] [ACD/IUPAC Name]
4-(1,3-Benzothiazol-2-ylsulfanyl)butannitril [German] [ACD/IUPAC Name]
Butanenitrile, 4-(2-benzothiazolylthio)- [ACD/Index Name]
73824-29-0 [RN]
BUTANENITRILE,4-(2-BENZOTHIAZOLYLTHIO)-
MFCD07555498

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

Density: 1.3±0.1 g/cm3
Boiling Point: 424.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.7±29.3 °C
Index of Refraction: 1.661
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.58
ACD/KOC (pH 5.5): 1029.88
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.58
ACD/KOC (pH 7.4): 1029.88
Polar Surface Area: 90 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 180.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement