ChemSpider 2D Image | 8-Iodo-2-(methylsulfanyl)pyrido[4,3-d]pyrimidine | C8H6IN3S

8-Iodo-2-(methylsulfanyl)pyrido[4,3-d]pyrimidine

  • Molecular FormulaC8H6IN3S
  • Average mass303.123 Da
  • Monoisotopic mass302.932709 Da
  • ChemSpider ID61281982

More details:

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

8-Iod-2-(methylsulfanyl)pyrido[4,3-d]pyrimidin [German] [ACD/IUPAC Name]
8-Iodo-2-(methylsulfanyl)pyrido[4,3-d]pyrimidine [ACD/IUPAC Name]
8-Iodo-2-(méthylsulfanyl)pyrido[4,3-d]pyrimidine [French] [ACD/IUPAC Name]
Pyrido[4,3-d]pyrimidine, 8-iodo-2-(methylthio)- [ACD/Index Name]
1562987-91-0 [RN]
8-IODO-2-METHYLSULFANYL-PYRIDO[4,3-D]PYRIMIDINE
MFCD28675271

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 463.4±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.7±3.0 kJ/mol
    Flash Point: 234.0±29.6 °C
    Index of Refraction: 1.766
    Molar Refractivity: 63.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 1.96
    ACD/BCF (pH 5.5): 18.10
    ACD/KOC (pH 5.5): 276.62
    ACD/LogD (pH 7.4): 1.96
    ACD/BCF (pH 7.4): 18.10
    ACD/KOC (pH 7.4): 276.66
    Polar Surface Area: 64 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 83.1±5.0 dyne/cm
    Molar Volume: 152.9±5.0 cm3

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