ChemSpider 2D Image | 6-[(4-Methoxybenzyl)sulfanyl]-2,4-pyrimidinediamine | C12H14N4OS

6-[(4-Methoxybenzyl)sulfanyl]-2,4-pyrimidinediamine

  • Molecular FormulaC12H14N4OS
  • Average mass262.331 Da
  • Monoisotopic mass262.088837 Da
  • ChemSpider ID24639197

More details:

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

2,4-Pyrimidinediamine, 6-[[(4-methoxyphenyl)methyl]thio]- [ACD/Index Name]
6-[(4-Methoxybenzyl)sulfanyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-[(4-Methoxybenzyl)sulfanyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-[(4-Méthoxybenzyl)sulfanyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
6-[(4-Methoxybenzyl)sulfanyl]pyrimidine-2,4-Diamine
1186657-58-8 [RN]
AX6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.7±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 73.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 11.13
ACD/KOC (pH 5.5): 166.12
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.46
ACD/KOC (pH 7.4): 290.54
Polar Surface Area: 112 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 195.3±5.0 cm3

Click to predict properties on the Chemicalize site


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