ChemSpider 2D Image | tert-butyl N-[1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(methylsulfanyl)propan-2-yl]carbamate | C17H22N2O4S

tert-butyl N-[1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(methylsulfanyl)propan-2-yl]carbamate

  • Molecular FormulaC17H22N2O4S
  • Average mass350.433 Da
  • Monoisotopic mass350.130035 Da
  • ChemSpider ID22547917

More details:

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

[1-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(méthylsulfanyl)-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl N-[1-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-2-(methylthio)ethyl]carbamate
2-Methyl-2-propanyl [1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(methylsulfanyl)-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(methylsulfanyl)-2-propanyl]carbamat [German] [ACD/IUPAC Name]
885266-58-0 [RN]
Carbamic acid, N-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-[(methylthio)methyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl N-[1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(methylsulfanyl)propan-2-yl]carbamate
[885266-58-0] [RN]
MFCD03844643 [MDL number]
tert-Butyl [2-phthalimido-1-(methylsulfanylmethyl)ethyl]carbamate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 515.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.3±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 92.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 208.93
ACD/KOC (pH 5.5): 1593.15
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 208.91
ACD/KOC (pH 7.4): 1593.03
Polar Surface Area: 101 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 282.4±3.0 cm3

Click to predict properties on the Chemicalize site


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