ChemSpider 2D Image | 1-[(2-Bromo-3-thienyl)methyl]-3-(3-hydroxypropyl)urea | C9H13BrN2O2S

1-[(2-Bromo-3-thienyl)methyl]-3-(3-hydroxypropyl)urea

  • Molecular FormulaC9H13BrN2O2S
  • Average mass293.181 Da
  • Monoisotopic mass291.988098 Da
  • ChemSpider ID35206211

More details:

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

1-[(2-Brom-3-thienyl)methyl]-3-(3-hydroxypropyl)harnstoff [German] [ACD/IUPAC Name]
1-[(2-Bromo-3-thienyl)methyl]-3-(3-hydroxypropyl)urea [ACD/IUPAC Name]
1-[(2-Bromo-3-thiényl)méthyl]-3-(3-hydroxypropyl)urée [French] [ACD/IUPAC Name]
Urea, N-[(2-bromo-3-thienyl)methyl]-N'-(3-hydroxypropyl)- [ACD/Index Name]
1-[(2-BROMOTHIOPHEN-3-YL)METHYL]-3-(3-HYDROXYPROPYL)UREA

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

Density: 1.5±0.1 g/cm3
Boiling Point: 521.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.3±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.79
ACD/KOC (pH 5.5): 122.35
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.79
ACD/KOC (pH 7.4): 122.34
Polar Surface Area: 90 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 189.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement