ChemSpider 2D Image | 4-Hydroxy-3-sulfanylbenzaldehyde | C7H6O2S

4-Hydroxy-3-sulfanylbenzaldehyde

  • Molecular FormulaC7H6O2S
  • Average mass154.186 Da
  • Monoisotopic mass154.008850 Da
  • ChemSpider ID14758119

More details:

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

4-Hydroxy-3-sulfanylbenzaldehyd [German] [ACD/IUPAC Name]
4-Hydroxy-3-sulfanylbenzaldehyde [ACD/IUPAC Name]
4-Hydroxy-3-sulfanylbenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 4-hydroxy-3-mercapto- [ACD/Index Name]
166590-53-0 [RN]
4-hydroxy-3-mercaptobenzaldehyde
Benzaldehyde, 4-hydroxy-3-mercapto- (9CI)
MFCD18824468

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

Density: 1.4±0.1 g/cm3
Boiling Point: 286.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.7±3.0 kJ/mol
Flash Point: 127.2±24.6 °C
Index of Refraction: 1.694
Molar Refractivity: 43.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 8.23
ACD/KOC (pH 5.5): 135.75
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.21
Polar Surface Area: 76 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 112.1±3.0 cm3

Click to predict properties on the Chemicalize site


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