ChemSpider 2D Image | 4-[2-(Methylsulfanyl)-4-pyrimidinyl]aniline | C11H11N3S

4-[2-(Methylsulfanyl)-4-pyrimidinyl]aniline

  • Molecular FormulaC11H11N3S
  • Average mass217.290 Da
  • Monoisotopic mass217.067368 Da
  • ChemSpider ID29304805

More details:

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

4-[2-(Methylsulfanyl)-4-pyrimidinyl]anilin [German] [ACD/IUPAC Name]
4-[2-(Methylsulfanyl)-4-pyrimidinyl]aniline [ACD/IUPAC Name]
4-[2-(Méthylsulfanyl)-4-pyrimidinyl]aniline [French] [ACD/IUPAC Name]
Benzenamine, 4-[2-(methylthio)-4-pyrimidinyl]- [ACD/Index Name]
1355334-92-7 [RN]
4-(2-methylsulfanylpyrimidin-4-yl)aniline
4-(2-Methylsulfanylpyrimidin-4-yl)phenylamine
4-(2-Methylsulfanyl-pyrimidin-4-yl)-phenylamine
4-(2-Methylsulphanylpyrimidin-4-yl)aniline
4-(2-Methylsulphanyl-pyrimidin-4-yl)-phenylamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 411.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.7±21.8 °C
Index of Refraction: 1.669
Molar Refractivity: 63.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.37
ACD/KOC (pH 5.5): 185.53
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.38
ACD/KOC (pH 7.4): 185.77
Polar Surface Area: 77 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 169.6±5.0 cm3

Click to predict properties on the Chemicalize site


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