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Search term: 78435626 (Found by CSID)
ChemSpider 2D Image | 1-{2,4-Dihydroxy-5-methyl-3-[(methylsulfanyl)methyl]phenyl}ethanone | C11H14O3S

1-{2,4-Dihydroxy-5-methyl-3-[(methylsulfanyl)methyl]phenyl}ethanone

  • Molecular FormulaC11H14O3S
  • Average mass226.292 Da
  • Monoisotopic mass226.066360 Da
  • ChemSpider ID78435626

More details:

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

1-{2,4-Dihydroxy-5-methyl-3-[(methylsulfanyl)methyl]phenyl}ethanon [German] [ACD/IUPAC Name]
1-{2,4-Dihydroxy-5-methyl-3-[(methylsulfanyl)methyl]phenyl}ethanone [ACD/IUPAC Name]
1-{2,4-Dihydroxy-5-méthyl-3-[(méthylsulfanyl)méthyl]phényl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,4-dihydroxy-5-methyl-3-[(methylthio)methyl]phenyl]- [ACD/Index Name]
1-(2',4'-dihydroxy-5'-methyl-3'-methylsulfanylmethylphenyl)ethanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 402.6±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 197.3±22.9 °C
Index of Refraction: 1.606
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.63
ACD/KOC (pH 5.5): 889.09
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 72.05
ACD/KOC (pH 7.4): 691.63
Polar Surface Area: 83 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 180.9±3.0 cm3

Click to predict properties on the Chemicalize site


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