ChemSpider 2D Image | 1-(Methylsulfonyl)-4-[(5-methyl-2-thienyl)methyl]-1,4-diazepane | C12H20N2O2S2

1-(Methylsulfonyl)-4-[(5-methyl-2-thienyl)methyl]-1,4-diazepane

  • Molecular FormulaC12H20N2O2S2
  • Average mass288.429 Da
  • Monoisotopic mass288.096619 Da
  • ChemSpider ID29209445

More details:

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

1-(Methylsulfonyl)-4-[(5-methyl-2-thienyl)methyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)-4-[(5-methyl-2-thienyl)methyl]-1,4-diazepane [ACD/IUPAC Name]
1-(Méthylsulfonyl)-4-[(5-méthyl-2-thiényl)méthyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-(methylsulfonyl)-4-[(5-methyl-2-thienyl)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: 404.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.2±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 3.53
ACD/KOC (pH 5.5): 62.31
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.66
ACD/KOC (pH 7.4): 187.92
Polar Surface Area: 77 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 225.0±5.0 cm3

Click to predict properties on the Chemicalize site


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