ChemSpider 2D Image | penem | C5H5NOS

penem

  • Molecular FormulaC5H5NOS
  • Average mass127.164 Da
  • Monoisotopic mass127.009186 Da
  • ChemSpider ID21865229
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5R)-4-Thia-1-azabicyclo[3.2.0]hept-2-en-7-on [German] [ACD/IUPAC Name]
(5R)-4-Thia-1-azabicyclo[3.2.0]hept-2-en-7-one [ACD/IUPAC Name]
(5R)-4-Thia-1-azabicyclo[3.2.0]hept-2-én-7-one [French] [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]hept-2-en-7-one, (5R)- [ACD/Index Name]
penem
2,3-didehydropenam
Peneme
  • Miscellaneous
    • Chemical Class:

      An organic heterobicyclic compound that consists of (5<stereo>R</stereo>)-4-thia-1-azabicyclo[3.2.0]hept-2-ene bearing a 7-keto substituent. The parent of the class of penems. ChEBI CHEBI:35994

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 367.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 176.2±22.3 °C
Index of Refraction: 1.698
Molar Refractivity: 33.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.26
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.26
Polar Surface Area: 46 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 85.6±5.0 cm3

Click to predict properties on the Chemicalize site