ChemSpider 2D Image | N-[(3-Isobutyl-1,2-oxazol-5-yl)methyl]tetrahydro-3-thiophenesulfonamide 1,1-dioxide | C12H20N2O5S2

N-[(3-Isobutyl-1,2-oxazol-5-yl)methyl]tetrahydro-3-thiophenesulfonamide 1,1-dioxide

  • Molecular FormulaC12H20N2O5S2
  • Average mass336.428 Da
  • Monoisotopic mass336.081360 Da
  • ChemSpider ID59705013

More details:

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

1,1-Dioxyde de N-[(3-isobutyl-1,2-oxazol-5-yl)méthyl]tétrahydro-3-thiophènesulfonamide [French] [ACD/IUPAC Name]
3-Thiophenesulfonamide, tetrahydro-N-[[3-(2-methylpropyl)-5-isoxazolyl]methyl]-, 1,1-dioxide [ACD/Index Name]
N-[(3-Isobutyl-1,2-oxazol-5-yl)methyl]tetrahydro-3-thiophenesulfonamide 1,1-dioxide [ACD/IUPAC Name]
N-[(3-Isobutyl-1,2-oxazol-5-yl)methyl]tetrahydro-3-thiophensulfonamid-1,1-dioxid [German] [ACD/IUPAC Name]
N-[(3-isobutylisoxazol-5-yl)methyl]tetrahydrothiophene-3-sulfonamide 1,1-dioxide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.4±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.01
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.59
Polar Surface Area: 123 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 241.7±5.0 cm3

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