ChemSpider 2D Image | 3,5-Dimethyl-1,2-oxazole-4-sulfinic acid | C5H7NO3S

3,5-Dimethyl-1,2-oxazole-4-sulfinic acid

  • Molecular FormulaC5H7NO3S
  • Average mass161.179 Da
  • Monoisotopic mass161.014664 Da
  • ChemSpider ID24214624

More details:

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

3,5-Dimethyl-1,2-oxazol-4-sulfinsäure [German] [ACD/IUPAC Name]
3,5-Dimethyl-1,2-oxazole-4-sulfinic acid [ACD/IUPAC Name]
4-Isoxazolesulfinic acid, 3,5-dimethyl- [ACD/Index Name]
Acide 3,5-diméthyl-1,2-oxazole-4-sulfinique [French] [ACD/IUPAC Name]
3,5-dimethylisoxazole-4-sulfinic acid
4-ISOXAZOLESULFINIC ACID 3,5-DIMETHYL-
4-Isoxazolesulfinic acid, 3,5-dimethyl- (9CI)
4-ISOXAZOLESULFINICACID, 3,5-DIMETHYL-
787513-23-9 [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: 412.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 202.9±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 36.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 105.2±5.0 cm3

Click to predict properties on the Chemicalize site


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