ChemSpider 2D Image | 5-Bromo-4-[(2,5-dichlorophenyl)sulfanyl]-2-pyrimidinamine | C10H6BrCl2N3S

5-Bromo-4-[(2,5-dichlorophenyl)sulfanyl]-2-pyrimidinamine

  • Molecular FormulaC10H6BrCl2N3S
  • Average mass351.050 Da
  • Monoisotopic mass348.884277 Da
  • ChemSpider ID36497554

More details:






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

2-Pyrimidinamine, 5-bromo-4-[(2,5-dichlorophenyl)thio]- [ACD/Index Name]
5-Brom-4-[(2,5-dichlorphenyl)sulfanyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Bromo-4-[(2,5-dichlorophenyl)sulfanyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-Bromo-4-[(2,5-dichlorophényl)sulfanyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 460.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.3±31.5 °C
Index of Refraction: 1.740
Molar Refractivity: 76.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1876.16
ACD/KOC (pH 5.5): 7666.46
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1876.30
ACD/KOC (pH 7.4): 7667.03
Polar Surface Area: 77 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 85.8±5.0 dyne/cm
Molar Volume: 188.6±5.0 cm3

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