ChemSpider 2D Image | 1-(1,4-Dithiepan-6-yl)-4-(hydroxymethyl)-4-azepanol | C12H23NO2S2

1-(1,4-Dithiepan-6-yl)-4-(hydroxymethyl)-4-azepanol

  • Molecular FormulaC12H23NO2S2
  • Average mass277.447 Da
  • Monoisotopic mass277.117004 Da
  • ChemSpider ID67905541

More details:






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

1-(1,4-Dithiepan-6-yl)-4-(hydroxymethyl)-4-azepanol [German] [ACD/IUPAC Name]
1-(1,4-Dithiepan-6-yl)-4-(hydroxymethyl)-4-azepanol [ACD/IUPAC Name]
1-(1,4-Dithiépan-6-yl)-4-(hydroxyméthyl)-4-azépanol [French] [ACD/IUPAC Name]
1H-Azepine-4-methanol, 1-(1,4-dithiepan-6-yl)hexahydro-4-hydroxy- [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: 463.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.6±6.0 kJ/mol
Flash Point: 234.1±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 38.47
Polar Surface Area: 94 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 226.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement