ChemSpider 2D Image | MFCD19614233 | C5H7NO3S

MFCD19614233

  • Molecular FormulaC5H7NO3S
  • Average mass161.179 Da
  • Monoisotopic mass161.014664 Da
  • ChemSpider ID28822479

More details:

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

1,1-Dioxyde de 4-hydroxytétrahydro-3-thiophènecarbonitrile [French] [ACD/IUPAC Name]
3-Thiophenecarbonitrile, tetrahydro-4-hydroxy-, 1,1-dioxide [ACD/Index Name]
4-Hydroxy-1,1-dioxotetrahydrothiophene-3-carbonitrile
4-Hydroxytetrahydro-3-thiophencarbonitril-1,1-dioxid [German] [ACD/IUPAC Name]
4-Hydroxytetrahydro-3-thiophenecarbonitrile 1,1-dioxide [ACD/IUPAC Name]
4-hydroxytetrahydrothiophene-3-carbonitrile 1,1-dioxide
MFCD19614233
4-hydroxy-1,1-dioxo-1??-thiolane-3-carbonitrile
4-hydroxy-1,1-dioxo-1l6-thiolane-3-carbonitrile
4-hydroxy-1,1-dioxo-1λ{6}-thiolane-3-carbonitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 517.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 266.7±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 33.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.33
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 87 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 105.5±5.0 cm3

Click to predict properties on the Chemicalize site


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