ChemSpider 2D Image | 1-[(5R)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0~1,5~]dec-4-yl]-1-propanone | C13H21NO3S

1-[(5R)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-1-propanone

  • Molecular FormulaC13H21NO3S
  • Average mass271.376 Da
  • Monoisotopic mass271.124207 Da
  • ChemSpider ID29318969

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1-[(5R)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[(5R)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-1-propanone [ACD/IUPAC Name]
1-[(5R)-10,10-Diméthyl-3,3-dioxydo-3-thia-4-azatricyclo[5.2.1.01,5]déc-4-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(7aR)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]- [ACD/Index Name]
(2R)-N-Propionylbornane-10,2-sultam
1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)propan-1-one
125664-95-1 [RN]
128947-19-3 [RN]
915920-28-4 [RN]
MFCD27978574
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 384.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.5±23.2 °C
Index of Refraction: 1.563
Molar Refractivity: 68.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.62
ACD/KOC (pH 5.5): 119.77
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.62
ACD/KOC (pH 7.4): 119.77
Polar Surface Area: 63 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 212.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement