ChemSpider 2D Image | 4-Amino-1,2-oxathiolan-5-one | C3H5NO2S

4-Amino-1,2-oxathiolan-5-one

  • Molecular FormulaC3H5NO2S
  • Average mass119.142 Da
  • Monoisotopic mass119.004097 Da
  • ChemSpider ID25947239

More details:






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

1,2-Oxathiolan-5-one, 4-amino- [ACD/Index Name]
4-Amino-1,2-oxathiolan-5-on [German] [ACD/IUPAC Name]
4-Amino-1,2-oxathiolan-5-one [ACD/IUPAC Name]
4-Amino-1,2-oxathiolan-5-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 206.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.2±3.0 kJ/mol
Flash Point: 78.4±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 27.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.22
Polar Surface Area: 78 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 83.3±3.0 cm3

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