ChemSpider 2D Image | 6-ethyl-2-mercapto-7H-pyrrolo[2,3-d]pyrimidin-4-ol | C8H9N3OS

6-ethyl-2-mercapto-7H-pyrrolo[2,3-d]pyrimidin-4-ol

  • Molecular FormulaC8H9N3OS
  • Average mass195.242 Da
  • Monoisotopic mass195.046631 Da
  • ChemSpider ID28426719

More details:

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

1275607-95-8 [RN]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 6-ethyl-1,2,3,7-tetrahydro-2-thioxo- [ACD/Index Name]
6-ethyl-2-mercapto-7H-pyrrolo[2,3-d]pyrimidin-4-ol
6-Ethyl-2-thioxo-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
6-Ethyl-2-thioxo-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
6-Éthyl-2-thioxo-1,2,3,7-tétrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
MFCD19441192 [MDL number]
[1275607-95-8] [RN]
6-Ethyl-2-sulfanylidene-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
6-ethyl-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.759
    Molar Refractivity: 54.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.00
    ACD/LogD (pH 5.5): -2.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 83.1±3.0 dyne/cm
    Molar Volume: 132.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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