ChemSpider 2D Image | 1-(5-Bromo-2-pyrimidinyl)-3-[3-(methylsulfanyl)phenyl]thiourea | C12H11BrN4S2

1-(5-Bromo-2-pyrimidinyl)-3-[3-(methylsulfanyl)phenyl]thiourea

  • Molecular FormulaC12H11BrN4S2
  • Average mass355.276 Da
  • Monoisotopic mass353.960846 Da
  • ChemSpider ID60477655

More details:

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

1-(5-Brom-2-pyrimidinyl)-3-[3-(methylsulfanyl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(5-Bromo-2-pyrimidinyl)-3-[3-(methylsulfanyl)phenyl]thiourea [ACD/IUPAC Name]
1-(5-Bromo-2-pyrimidinyl)-3-[3-(méthylsulfanyl)phényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(5-bromo-2-pyrimidinyl)-N'-[3-(methylthio)phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 496.1±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±30.4 °C
Index of Refraction: 1.733
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 144.19
ACD/KOC (pH 5.5): 1221.65
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.32
ACD/KOC (pH 7.4): 1197.34
Polar Surface Area: 107 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 83.7±5.0 dyne/cm
Molar Volume: 216.0±5.0 cm3

Click to predict properties on the Chemicalize site


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