Found 85 results

Search term: MF = 'C_{21}H_{22}O_{3}S'
ChemSpider 2D Image | 4-Hexyl-11-methylthieno[3,4-b]oxanthren-1(3H)-one | C21H22O3S

4-Hexyl-11-methylthieno[3,4-b]oxanthren-1(3H)-one

  • Molecular FormulaC21H22O3S
  • Average mass354.463 Da
  • Monoisotopic mass354.128967 Da
  • ChemSpider ID74116769

More details:

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

4-Hexyl-11-methylthieno[3,4-b]oxanthren-1(3H)-on [German] [ACD/IUPAC Name]
4-Hexyl-11-methylthieno[3,4-b]oxanthren-1(3H)-one [ACD/IUPAC Name]
4-Hexyl-11-méthylthiéno[3,4-b]oxanthrén-1(3H)-one [French] [ACD/IUPAC Name]
Benzo[b]-2-benzothieno[5,6-e][1,4]dioxin-1(3H)-one, 4-hexyl-11-methyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4518684/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 251.4±18.1 °C
Index of Refraction: 1.619
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 92500.50
ACD/KOC (pH 5.5): 124837.60
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 92500.50
ACD/KOC (pH 7.4): 124837.60
Polar Surface Area: 61 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 288.3±3.0 cm3

Click to predict properties on the Chemicalize site


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