ChemSpider 2D Image | (1S,4S)-5-(3-Thienylsulfonyl)-2-thia-5-azabicyclo[2.2.1]heptane | C9H11NO2S3

(1S,4S)-5-(3-Thienylsulfonyl)-2-thia-5-azabicyclo[2.2.1]heptane

  • Molecular FormulaC9H11NO2S3
  • Average mass261.384 Da
  • Monoisotopic mass260.995178 Da
  • ChemSpider ID64434853

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-5-(3-Thienylsulfonyl)-2-thia-5-azabicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
(1S,4S)-5-(3-Thienylsulfonyl)-2-thia-5-azabicyclo[2.2.1]heptane [ACD/IUPAC Name]
(1S,4S)-5-(3-Thiénylsulfonyl)-2-thia-5-azabicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
2-Thia-5-azabicyclo[2.2.1]heptane, 5-(3-thienylsulfonyl)-, (1S,4S)- [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: 438.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.9±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.36
ACD/KOC (pH 5.5): 290.27
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.36
ACD/KOC (pH 7.4): 290.27
Polar Surface Area: 99 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 172.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement