ChemSpider 2D Image | 2,3-Bis{[(hydroxymethyl)sulfanyl]methyl}-1,4-naphthoquinone | C14H14O4S2

2,3-Bis{[(hydroxymethyl)sulfanyl]methyl}-1,4-naphthoquinone

  • Molecular FormulaC14H14O4S2
  • Average mass310.389 Da
  • Monoisotopic mass310.033356 Da
  • ChemSpider ID24604690

More details:

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

1,4-Naphthalenedione, 2,3-bis[[(hydroxymethyl)thio]methyl]- [ACD/Index Name]
2,3-Bis{[(hydroxymethyl)sulfanyl]methyl}-1,4-naphthochinon [German] [ACD/IUPAC Name]
2,3-Bis{[(hydroxymethyl)sulfanyl]methyl}-1,4-naphthoquinone [ACD/IUPAC Name]
2,3-Bis{[(hydroxyméthyl)sulfanyl]méthyl}-1,4-naphtoquinone [French] [ACD/IUPAC Name]
2,3-Bis(2-hydroxyethylsulfanyl)-(1,4)naphthoquinone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 498.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 255.0±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.39
ACD/KOC (pH 5.5): 246.24
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.39
ACD/KOC (pH 7.4): 246.24
Polar Surface Area: 125 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 216.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement