Found 17 results

Search term: MF = 'C_{13}H_{11}NO_{2}S_{3}'
ChemSpider 2D Image | 4-{[2-(2-Thienylsulfanyl)ethyl]sulfonyl}benzonitrile | C13H11NO2S3

4-{[2-(2-Thienylsulfanyl)ethyl]sulfonyl}benzonitrile

  • Molecular FormulaC13H11NO2S3
  • Average mass309.427 Da
  • Monoisotopic mass308.995178 Da
  • ChemSpider ID30450630

More details:

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

4-{[2-(2-Thienylsulfanyl)ethyl]sulfonyl}benzonitril [German] [ACD/IUPAC Name]
4-{[2-(2-Thienylsulfanyl)ethyl]sulfonyl}benzonitrile [ACD/IUPAC Name]
4-{[2-(2-Thiénylsulfanyl)éthyl]sulfonyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[2-(2-thienylthio)ethyl]sulfonyl]- [ACD/Index Name]
4-[2-(THIOPHEN-2-YLSULFANYL)ETHANESULFONYL]BENZONITRILE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 544.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 282.8±30.1 °C
Index of Refraction: 1.663
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.26
ACD/KOC (pH 5.5): 1001.72
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.26
ACD/KOC (pH 7.4): 1001.72
Polar Surface Area: 120 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 216.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement