ChemSpider 2D Image | (3S,5E)-3-Propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine | C10H14N2OS

(3S,5E)-3-Propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine

  • Molecular FormulaC10H14N2OS
  • Average mass210.296 Da
  • Monoisotopic mass210.082687 Da
  • ChemSpider ID25057628

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,5E)-3-Propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imin [German] [ACD/IUPAC Name]
(3S,5E)-3-Propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine [ACD/IUPAC Name]
(3S,5E)-3-Propyl-3,4-dihydrothiéno[2,3-f][1,4]oxazépin-5(2H)-imine [French] [ACD/IUPAC Name]
Thieno[2,3-f]-1,4-oxazepin-5(2H)-imine, 3,4-dihydro-3-propyl-, (3S,5E)- [ACD/Index Name]
(3S)-3-propyl-2H,3H,4H,5H-thieno[2,3-f][1,4]oxazepin-5-imine
(3S)-3-propyl-2H,3H,4H-thieno[2,3-f][1,4]oxazepin-5-imine

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

327 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 308.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 140.6±30.7 °C
Index of Refraction: 1.648
Molar Refractivity: 57.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.13
Polar Surface Area: 73 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 158.1±7.0 cm3

Click to predict properties on the Chemicalize site


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