ChemSpider 2D Image | 3,3'-(1,2-Ethanediyl)bis(1,5,3-dithiazepane) | C10H20N2S4

3,3'-(1,2-Ethanediyl)bis(1,5,3-dithiazepane)

  • Molecular FormulaC10H20N2S4
  • Average mass296.539 Da
  • Monoisotopic mass296.050934 Da
  • ChemSpider ID57600808

More details:

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

2H-1,5,3-Dithiazepine, 3,3'-(1,2-ethanediyl)bis[tetrahydro- [ACD/Index Name]
3,3'-(1,2-Ethandiyl)bis(1,5,3-dithiazepan) [German] [ACD/IUPAC Name]
3,3'-(1,2-Ethanediyl)bis(1,5,3-dithiazepane) [ACD/IUPAC Name]
3,3'-(1,2-Éthanediyl)bis(1,5,3-dithiazépane) [French] [ACD/IUPAC Name]
1,2-bis(1,5,3-dithiazepan-3-yl)ethane
1391624-93-3 [RN]
3-[2-(1,5,3-dithiazepan-3-yl)ethyl]-1,5,3-dithiazepane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 449.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.6±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.72
ACD/KOC (pH 5.5): 323.63
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.17
ACD/KOC (pH 7.4): 330.09
Polar Surface Area: 108 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 242.0±3.0 cm3

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