ChemSpider 2D Image | 1,1-dioxothietane-3-carbaldehyde | C4H6O3S

1,1-dioxothietane-3-carbaldehyde

  • Molecular FormulaC4H6O3S
  • Average mass134.154 Da
  • Monoisotopic mass134.003769 Da
  • ChemSpider ID58598782

More details:

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

1,1-dioxothietane-3-carbaldehyde
1,1-Dioxyde de -3-thiétanecarbaldéhyde [French] [ACD/IUPAC Name]
1780124-84-6 [RN]
3-Thietancarbaldehyd-1,1-dioxid [German] [ACD/IUPAC Name]
3-Thietanecarbaldehyde 1,1-dioxide [ACD/IUPAC Name]
3-Thietanecarboxaldehyde, 1,1-dioxide [ACD/Index Name]
1,1-dioxo-1λ6-thietane-3-carbaldehyde
MFCD28652810

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

Density: 1.6±0.1 g/cm3
Boiling Point: 360.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 249.3±18.6 °C
Index of Refraction: 1.571
Molar Refractivity: 27.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.37
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.37
Polar Surface Area: 60 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 84.1±3.0 cm3

Click to predict properties on the Chemicalize site


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