ChemSpider 2D Image | 2-amino-6-((p-tolylthio)methyl)pyrimidin-4-ol | C12H13N3OS

2-amino-6-((p-tolylthio)methyl)pyrimidin-4-ol

  • Molecular FormulaC12H13N3OS
  • Average mass247.316 Da
  • Monoisotopic mass247.077927 Da
  • ChemSpider ID21805019

More details:

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

1114596-99-4 [RN]
2-amino-6-((p-tolylthio)methyl)pyrimidin-4-ol
2-amino-6-{[(4-methylphenyl)sulfanyl]methyl}-3,4-dihydropyrimidin-4-one
2-AMINO-6-{[(4-METHYLPHENYL)SULFANYL]METHYL}-3H-PYRIMIDIN-4-ONE
2-Amino-6-{[(4-methylphenyl)sulfanyl]methyl}-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2-Amino-6-{[(4-methylphenyl)sulfanyl]methyl}-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-Amino-6-{[(4-méthylphényl)sulfanyl]méthyl}-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2-amino-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4-ol
4-Pyrimidinol, 2-amino-6-[[(4-methylphenyl)thio]methyl]- [ACD/Index Name]
[1114596-99-4] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027012 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 516.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.9±3.0 kJ/mol
    Flash Point: 266.2±32.9 °C
    Index of Refraction: 1.684
    Molar Refractivity: 69.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): 1.02
    ACD/BCF (pH 5.5): 1.72
    ACD/KOC (pH 5.5): 21.97
    ACD/LogD (pH 7.4): 1.01
    ACD/BCF (pH 7.4): 1.68
    ACD/KOC (pH 7.4): 21.51
    Polar Surface Area: 97 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 77.3±5.0 dyne/cm
    Molar Volume: 183.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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