ChemSpider 2D Image | 1-(Methylsulfonyl)-4-(2-thienylsulfonyl)-1,4-diazepane | C10H16N2O4S3

1-(Methylsulfonyl)-4-(2-thienylsulfonyl)-1,4-diazepane

  • Molecular FormulaC10H16N2O4S3
  • Average mass324.440 Da
  • Monoisotopic mass324.027222 Da
  • ChemSpider ID22554369

More details:

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

1-(Methylsulfonyl)-4-(2-thienylsulfonyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)-4-(2-thienylsulfonyl)-1,4-diazepane [ACD/IUPAC Name]
1-(Méthylsulfonyl)-4-(2-thiénylsulfonyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-(methylsulfonyl)-4-(2-thienylsulfonyl)- [ACD/Index 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: 502.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 77.83
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.83
Polar Surface Area: 120 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 212.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement