ChemSpider 2D Image | 2-chloro-4-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine | C7H6ClN3S

2-chloro-4-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine

  • Molecular FormulaC7H6ClN3S
  • Average mass199.661 Da
  • Monoisotopic mass198.997101 Da
  • ChemSpider ID32779568

More details:

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

1192711-79-7 [RN]
2-Chlor-4-(methylsulfanyl)-1H-pyrrolo[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
2-Chloro-4-(methylsulfanyl)-1H-pyrrolo[2,3-d]pyrimidine [ACD/IUPAC Name]
2-Chloro-4-(méthylsulfanyl)-1H-pyrrolo[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
2-chloro-4-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-4-(methylthio)- [ACD/Index Name]
2-chloro-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CS-15810
MFCD20687315

    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: 1.711
    Molar Refractivity: 51.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.84
    ACD/LogD (pH 5.5): 2.32
    ACD/BCF (pH 5.5): 33.97
    ACD/KOC (pH 5.5): 433.88
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 34.03
    ACD/KOC (pH 7.4): 434.65
    Polar Surface Area: 67 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 78.7±5.0 dyne/cm
    Molar Volume: 131.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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