ChemSpider 2D Image | 5-Hydroxy-1,3-oxazole-2(5H)-thione | C3H3NO2S

5-Hydroxy-1,3-oxazole-2(5H)-thione

  • Molecular FormulaC3H3NO2S
  • Average mass117.126 Da
  • Monoisotopic mass116.988449 Da
  • ChemSpider ID95583437

More details:

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

2(5H)-Oxazolethione, 5-hydroxy- [ACD/Index Name]
5-Hydroxy-1,3-oxazol-2(5H)-thion [German] [ACD/IUPAC Name]
5-Hydroxy-1,3-oxazole-2(5H)-thione [ACD/IUPAC Name]
5-Hydroxy-1,3-oxazole-2(5H)-thione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 207.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.6±6.0 kJ/mol
Flash Point: 79.3±30.1 °C
Index of Refraction: 1.692
Molar Refractivity: 26.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.55
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.14
Polar Surface Area: 74 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 69.0±7.0 cm3

Click to predict properties on the Chemicalize site


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