ChemSpider 2D Image | 1-[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]-1,4-diazepane | C9H18N2O2S

1-[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]-1,4-diazepane

  • Molecular FormulaC9H18N2O2S
  • Average mass218.316 Da
  • Monoisotopic mass218.108902 Da
  • ChemSpider ID67964964

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(3S)-1,1-Dioxidotetrahydro-3-thiophenyl]-1,4-diazepane [ACD/IUPAC Name]
1-[(3S)-1,1-Dioxydotétrahydro-3-thiophényl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-[(3S)-tetrahydro-1,1-dioxido-3-thienyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 409.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.5±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 56.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 180.2±3.0 cm3

Click to predict properties on the Chemicalize site


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