Found 20 results

Search term: MF = 'C_{6}H_{4}O_{3}S'
ChemSpider 2D Image | 4-Sulfanyl-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-3,7-diol | C6H4O3S

4-Sulfanyl-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-3,7-diol

  • Molecular FormulaC6H4O3S
  • Average mass156.159 Da
  • Monoisotopic mass155.988113 Da
  • ChemSpider ID67032781

More details:

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

4-Sulfanyl-6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-3,7-diol [German] [ACD/IUPAC Name]
4-Sulfanyl-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-3,7-diol [ACD/IUPAC Name]
4-Sulfanyl-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triène-3,7-diol [French] [ACD/IUPAC Name]
6-Oxabicyclo[3.1.1]hepta-1(7),2,4-triene-3,7-diol, 4-mercapto- [ACD/Index Name]
Monothiohydrochinon??ther

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

Density: 1.8±0.1 g/cm3
Boiling Point: 363.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 173.6±27.9 °C
Index of Refraction: 1.811
Molar Refractivity: 37.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 68.58
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 88 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 88.5±5.0 dyne/cm
Molar Volume: 85.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement