ChemSpider 2D Image | (5S,11aS)-5-Hydroperoxy-1,5,11,11a-tetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-one | C14H13NO3S

(5S,11aS)-5-Hydroperoxy-1,5,11,11a-tetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-one

  • Molecular FormulaC14H13NO3S
  • Average mass275.323 Da
  • Monoisotopic mass275.061615 Da
  • ChemSpider ID30658203

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,11aS)-5-Hydroperoxy-1,5,11,11a-tetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-on [German] [ACD/IUPAC Name]
(5S,11aS)-5-Hydroperoxy-1,5,11,11a-tetrahydro[1]benzothieno[3,2-f]indolizin-3(2H)-one [ACD/IUPAC Name]
(5S,11aS)-5-Hydroperoxy-1,5,11,11a-tétrahydro[1]benzothiéno[3,2-f]indolizin-3(2H)-one [French] [ACD/IUPAC Name]
[1]Benzothieno[3,2-f]indolizin-3(2H)-one, 1,5,11,11a-tetrahydro-5-hydroperoxy-, (5S,11aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 556.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.4±30.1 °C
Index of Refraction: 1.734
Molar Refractivity: 73.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.97
ACD/KOC (pH 5.5): 912.89
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.93
ACD/KOC (pH 7.4): 912.54
Polar Surface Area: 78 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 183.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement