ChemSpider 2D Image | 5-[(2E)-4-Chloro-2-buten-1-yl]-1,2,5-dithiazepane | C8H14ClNS2

5-[(2E)-4-Chloro-2-buten-1-yl]-1,2,5-dithiazepane

  • Molecular FormulaC8H14ClNS2
  • Average mass223.786 Da
  • Monoisotopic mass223.025620 Da
  • ChemSpider ID61838692

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-1,2,5-Dithiazepine, 5-[(2E)-4-chloro-2-buten-1-yl]tetrahydro- [ACD/Index Name]
5-[(2E)-4-Chlor-2-buten-1-yl]-1,2,5-dithiazepan [German] [ACD/IUPAC Name]
5-[(2E)-4-Chloro-2-buten-1-yl]-1,2,5-dithiazepane [ACD/IUPAC Name]
5-[(2E)-4-Chloro-2-butén-1-yl]-1,2,5-dithiazépane [French] [ACD/IUPAC Name]
1883109-84-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.0±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 5.91
ACD/KOC (pH 5.5): 61.72
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 60.93
ACD/KOC (pH 7.4): 636.04
Polar Surface Area: 54 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 189.8±3.0 cm3

Click to predict properties on the Chemicalize site


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