ChemSpider 2D Image | 1-(1,2,5-Dithiazepan-5-yl)-2-propen-1-one | C7H11NOS2

1-(1,2,5-Dithiazepan-5-yl)-2-propen-1-one

  • Molecular FormulaC7H11NOS2
  • Average mass189.298 Da
  • Monoisotopic mass189.028198 Da
  • ChemSpider ID61077050

More details:

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

1-(1,2,5-Dithiazepan-5-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
1-(1,2,5-Dithiazepan-5-yl)-2-propen-1-one [ACD/IUPAC Name]
1-(1,2,5-Dithiazépan-5-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(tetrahydro-5H-1,2,5-dithiazepin-5-yl)- [ACD/Index Name]
1866750-69-7 [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: 368.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 176.9±22.3 °C
Index of Refraction: 1.575
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 91.27
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 91.27
Polar Surface Area: 71 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 157.1±3.0 cm3

Click to predict properties on the Chemicalize site


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