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Search term: QIUSZGPSDFABCN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(1-Hydroxy-2-methyl-2-butanyl)-3-[7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-yl]urea | C15H22N2O4S

1-(1-Hydroxy-2-methyl-2-butanyl)-3-[7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-yl]urea

  • Molecular FormulaC15H22N2O4S
  • Average mass326.411 Da
  • Monoisotopic mass326.130035 Da
  • ChemSpider ID30279798

More details:

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

1-(1-Hydroxy-2-methyl-2-butanyl)-3-[7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-yl]harnstoff [German] [ACD/IUPAC Name]
1-(1-Hydroxy-2-methyl-2-butanyl)-3-[7-(methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-yl]urea [ACD/IUPAC Name]
1-(1-Hydroxy-2-méthyl-2-butanyl)-3-[7-(méthylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[2,3-dihydro-7-(methylthio)-1,4-benzodioxin-6-yl]-N'-[1-(hydroxymethyl)-1-methylpropyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 450.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 226.0±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 86.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.43
ACD/KOC (pH 5.5): 575.98
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.42
ACD/KOC (pH 7.4): 575.90
Polar Surface Area: 105 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 254.1±5.0 cm3

Click to predict properties on the Chemicalize site


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