ChemSpider 2D Image | 2-(1,5,3-Dithiazepan-3-yl)ethanol | C6H13NOS2

2-(1,5,3-Dithiazepan-3-yl)ethanol

  • Molecular FormulaC6H13NOS2
  • Average mass179.303 Da
  • Monoisotopic mass179.043854 Da
  • ChemSpider ID61002956

More details:

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

2-(1,5,3-Dithiazepan-3-yl)ethanol [German] [ACD/IUPAC Name]
2-(1,5,3-Dithiazepan-3-yl)ethanol [ACD/IUPAC Name]
2-(1,5,3-Dithiazépan-3-yl)éthanol [French] [ACD/IUPAC Name]
2H-1,5,3-Dithiazepine-3(4H)-ethanol, dihydro- [ACD/Index Name]
1604783-75-6 [RN]
2-(1,5,3-dithiazepan-3-yl)ethan-1-ol
MFCD30089326

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

Density: 1.2±0.1 g/cm3
Boiling Point: 334.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.9±6.0 kJ/mol
Flash Point: 156.0±26.5 °C
Index of Refraction: 1.573
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.16
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.34
Polar Surface Area: 74 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 149.3±3.0 cm3

Click to predict properties on the Chemicalize site


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