ChemSpider 2D Image | 3-[(2-amino-2-oxoethyl)thio]propanoic acid | C5H9NO3S

3-[(2-amino-2-oxoethyl)thio]propanoic acid

  • Molecular FormulaC5H9NO3S
  • Average mass163.195 Da
  • Monoisotopic mass163.030319 Da
  • ChemSpider ID21926747

More details:

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

3-[(2-Amino-2-oxoethyl)sulfanyl]propanoic acid [ACD/IUPAC Name]
3-[(2-Amino-2-oxoethyl)sulfanyl]propansäure [German] [ACD/IUPAC Name]
3-[(2-amino-2-oxoethyl)thio]propanoic acid
Acide 3-[(2-amino-2-oxoéthyl)sulfanyl]propanoïque [French] [ACD/IUPAC Name]
MFCD09971379 [MDL number]
Propanoic acid, 3-[(2-amino-2-oxoethyl)thio]- [ACD/Index Name]
111035-51-9 [RN]
3-[(carbamoylmethyl)sulfanyl]propanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 417.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±6.0 kJ/mol
Flash Point: 206.1±24.6 °C
Index of Refraction: 1.549
Molar Refractivity: 38.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 120.5±3.0 cm3

Click to predict properties on the Chemicalize site


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