ChemSpider 2D Image | Isobutyl N-(2-thienylsulfonyl)threoninate | C12H19NO5S2

Isobutyl N-(2-thienylsulfonyl)threoninate

  • Molecular FormulaC12H19NO5S2
  • Average mass321.413 Da
  • Monoisotopic mass321.070465 Da
  • ChemSpider ID30241201

More details:

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

Isobutyl N-(2-thienylsulfonyl)threoninate [ACD/IUPAC Name]
Isobutyl-N-(2-thienylsulfonyl)threoninat [German] [ACD/IUPAC Name]
N-(2-Thiénylsulfonyl)thréoninate d'isobutyle [French] [ACD/IUPAC Name]
Threonine, N-(2-thienylsulfonyl)-, 2-methylpropyl ester [ACD/Index Name]
2-METHYLPROPYL 3-HYDROXY-2-(THIOPHENE-2-SULFONAMIDO)BUTANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 480.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 244.2±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 77.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.76
ACD/KOC (pH 5.5): 164.41
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.86
ACD/KOC (pH 7.4): 147.52
Polar Surface Area: 129 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 247.2±3.0 cm3

Click to predict properties on the Chemicalize site


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