ChemSpider 2D Image | 2-Sulfanyl-1,3-oxazol-4-ol | C3H3NO2S

2-Sulfanyl-1,3-oxazol-4-ol

  • Molecular FormulaC3H3NO2S
  • Average mass117.126 Da
  • Monoisotopic mass116.988449 Da
  • ChemSpider ID61383997

More details:

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

2-Sulfanyl-1,3-oxazol-4-ol [German] [ACD/IUPAC Name]
2-Sulfanyl-1,3-oxazol-4-ol [ACD/IUPAC Name]
2-Sulfanyl-1,3-oxazol-4-ol [French] [ACD/IUPAC Name]
4-Oxazolol, 2-mercapto- [ACD/Index Name]
668460-78-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 256.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 109.0±25.1 °C
Index of Refraction: 1.615
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 76.5±3.0 cm3

Click to predict properties on the Chemicalize site


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