ChemSpider 2D Image | [(3S)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-thiomorpholinyl]acetic acid | C11H19NO4S

[(3S)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-thiomorpholinyl]acetic acid

  • Molecular FormulaC11H19NO4S
  • Average mass261.338 Da
  • Monoisotopic mass261.103485 Da
  • ChemSpider ID59756173
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(3S)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-thiomorpholinyl]acetic acid [ACD/IUPAC Name]
[(3S)-4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-thiomorpholinyl]essigsäure [German] [ACD/IUPAC Name]
3-Thiomorpholineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-, (3S)- [ACD/Index Name]
Acide [(3S)-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-thiomorpholinyl]acétique [French] [ACD/IUPAC Name]
(S)-N-t-Butyloxycarbonyl-thiomorpholine-3-yl-acetic acid
1263045-15-3 [RN]
MFCD13184905

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

Density: 1.2±0.1 g/cm3
Boiling Point: 416.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±6.0 kJ/mol
Flash Point: 205.5±24.6 °C
Index of Refraction: 1.521
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.38
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 216.4±3.0 cm3

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