ChemSpider 2D Image | 7-Chlorothieno[3,2-d]pyrimidine | C6H3ClN2S

7-Chlorothieno[3,2-d]pyrimidine

  • Molecular FormulaC6H3ClN2S
  • Average mass170.619 Da
  • Monoisotopic mass169.970551 Da
  • ChemSpider ID23551720

More details:

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

31492-65-6 [RN]
7-Chlorothieno[3,2-d]pyrimidine [ACD/IUPAC Name]
7-Chlorothiéno[3,2-d]pyrimidine [French] [ACD/IUPAC Name]
7-Chlorthieno[3,2-d]pyrimidin [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidine, 7-chloro- [ACD/Index Name]
[31492-65-6] [RN]
DS-5870
MFCD02259408 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 285.7±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 50.4±3.0 kJ/mol
    Flash Point: 126.6±21.8 °C
    Index of Refraction: 1.710
    Molar Refractivity: 43.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 18.88
    ACD/KOC (pH 5.5): 285.05
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 18.88
    ACD/KOC (pH 7.4): 285.05
    Polar Surface Area: 54 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 66.7±3.0 dyne/cm
    Molar Volume: 111.4±3.0 cm3

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