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Search term: BIICFIBVNVTMBV (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-[3-(Isobutylsulfonyl)-1-azetidinyl]-3-(3-methyl-2-thienyl)-1-propanone | C15H23NO3S2

1-[3-(Isobutylsulfonyl)-1-azetidinyl]-3-(3-methyl-2-thienyl)-1-propanone

  • Molecular FormulaC15H23NO3S2
  • Average mass329.478 Da
  • Monoisotopic mass329.111938 Da
  • ChemSpider ID30764130

More details:






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

1-[3-(Isobutylsulfonyl)-1-azetidinyl]-3-(3-methyl-2-thienyl)-1-propanon [German] [ACD/IUPAC Name]
1-[3-(Isobutylsulfonyl)-1-azetidinyl]-3-(3-methyl-2-thienyl)-1-propanone [ACD/IUPAC Name]
1-[3-(Isobutylsulfonyl)-1-azétidinyl]-3-(3-méthyl-2-thiényl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-[(2-methylpropyl)sulfonyl]-1-azetidinyl]-3-(3-methyl-2-thienyl)- [ACD/Index Name]
1-(3-(isobutylsulfonyl)azetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one
1-[3-(2-methylpropanesulfonyl)azetidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
1797276-85-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.7±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 86.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.62
ACD/KOC (pH 5.5): 324.46
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.62
ACD/KOC (pH 7.4): 324.46
Polar Surface Area: 91 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

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