ChemSpider 2D Image | 8-Chloro-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidine | C7H5ClN4S

8-Chloro-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidine

  • Molecular FormulaC7H5ClN4S
  • Average mass212.659 Da
  • Monoisotopic mass211.992340 Da
  • ChemSpider ID13800979

More details:

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

176637-10-8 [RN]
8-Chlor-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidin [German] [ACD/IUPAC Name]
8-chloro-2-(methylsulfanyl)pyrimido[5,4-d][1,3]diazine
8-Chloro-2-(methylsulfanyl)pyrimido[5,4-d]pyrimidine [ACD/IUPAC Name]
8-Chloro-2-(méthylsulfanyl)pyrimido[5,4-d]pyrimidine [French] [ACD/IUPAC Name]
Pyrimido[5,4-d]pyrimidine, 8-chloro-2-(methylthio)- [ACD/Index Name]
[176637-10-8] [RN]
2411-83-8 [RN]
4-chloro-6-(methylthio)pyrimido[5,4-d]pyrimidine
4-chloro-6-methylsulfanylpyrimido[5,4-d]pyrimidine
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 416.0±48.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.3±3.0 kJ/mol
    Flash Point: 205.4±29.6 °C
    Index of Refraction: 1.699
    Molar Refractivity: 53.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.41
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 2.53
    ACD/KOC (pH 5.5): 67.62
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 2.53
    ACD/KOC (pH 7.4): 67.62
    Polar Surface Area: 77 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 87.9±5.0 dyne/cm
    Molar Volume: 137.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement