ChemSpider 2D Image | 1-{[4-(Methylsulfanyl)tetrahydro-2H-pyran-4-yl]methyl}-3-[1-(3-thienyl)-2-propanyl]urea | C15H24N2O2S2

1-{[4-(Methylsulfanyl)tetrahydro-2H-pyran-4-yl]methyl}-3-[1-(3-thienyl)-2-propanyl]urea

  • Molecular FormulaC15H24N2O2S2
  • Average mass328.493 Da
  • Monoisotopic mass328.127930 Da
  • ChemSpider ID30260561

More details:

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

1-{[4-(Methylsulfanyl)tetrahydro-2H-pyran-4-yl]methyl}-3-[1-(3-thienyl)-2-propanyl]harnstoff [German] [ACD/IUPAC Name]
1-{[4-(Methylsulfanyl)tetrahydro-2H-pyran-4-yl]methyl}-3-[1-(3-thienyl)-2-propanyl]urea [ACD/IUPAC Name]
1-{[4-(Méthylsulfanyl)tétrahydro-2H-pyran-4-yl]méthyl}-3-[1-(3-thiényl)-2-propanyl]urée [French] [ACD/IUPAC Name]
Urea, N-[1-methyl-2-(3-thienyl)ethyl]-N'-[[tetrahydro-4-(methylthio)-2H-pyran-4-yl]methyl]- [ACD/Index Name]
1-{[4-(METHYLSULFANYL)OXAN-4-YL]METHYL}-3-[1-(THIOPHEN-3-YL)PROPAN-2-YL]UREA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.68
ACD/KOC (pH 5.5): 688.24
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.68
ACD/KOC (pH 7.4): 688.23
Polar Surface Area: 104 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 275.2±5.0 cm3

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