ChemSpider 2D Image | tert-butyl 3-{[(2-hydroxyethyl)sulfanyl]methyl}azetidine-1-carboxylate | C11H21NO3S

tert-butyl 3-{[(2-hydroxyethyl)sulfanyl]methyl}azetidine-1-carboxylate

  • Molecular FormulaC11H21NO3S
  • Average mass247.354 Da
  • Monoisotopic mass247.124207 Da
  • ChemSpider ID65090009

More details:

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

1-Azetidinecarboxylic acid, 3-[[(2-hydroxyethyl)thio]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2059937-86-7 [RN]
2-Methyl-2-propanyl 3-{[(2-hydroxyethyl)sulfanyl]methyl}-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(2-hydroxyethyl)sulfanyl]methyl}-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-{[(2-Hydroxyéthyl)sulfanyl]méthyl}-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-{[(2-hydroxyethyl)sulfanyl]methyl}azetidine-1-carboxylate
MFCD30497581

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.1±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.3±6.0 kJ/mol
Flash Point: 177.0±19.6 °C
Index of Refraction: 1.524
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.77
ACD/KOC (pH 5.5): 177.90
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.77
ACD/KOC (pH 7.4): 177.90
Polar Surface Area: 75 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

Click to predict properties on the Chemicalize site


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