ChemSpider 2D Image | 3-(1,3-Benzoxazol-2-ylsulfanyl)-4H-chromen-4-one | C16H9NO3S

3-(1,3-Benzoxazol-2-ylsulfanyl)-4H-chromen-4-one

  • Molecular FormulaC16H9NO3S
  • Average mass295.313 Da
  • Monoisotopic mass295.030304 Da
  • ChemSpider ID21124412

More details:

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

3-(1,3-Benzoxazol-2-ylsulfanyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-(1,3-Benzoxazol-2-ylsulfanyl)-4H-chromen-4-one [ACD/IUPAC Name]
3-(1,3-Benzoxazol-2-ylsulfanyl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(2-benzoxazolylthio)- [ACD/Index Name]
3-(benzooxazol-2-ylsulfanyl)-chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL396595/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 457.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.6±31.5 °C
Index of Refraction: 1.743
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.27
ACD/KOC (pH 5.5): 2277.80
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.27
ACD/KOC (pH 7.4): 2277.83
Polar Surface Area: 78 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

Click to predict properties on the Chemicalize site


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