ChemSpider 2D Image | 3-(Chloromethyl)-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole | C7H9ClN2S

3-(Chloromethyl)-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole

  • Molecular FormulaC7H9ClN2S
  • Average mass188.678 Da
  • Monoisotopic mass188.017502 Da
  • ChemSpider ID53622240

More details:

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

3-(Chlormethyl)-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol [German] [ACD/IUPAC Name]
3-(Chloromethyl)-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole [ACD/IUPAC Name]
3-(Chlorométhyl)-2,4,6,7-tétrahydrothiopyrano[4,3-c]pyrazole [French] [ACD/IUPAC Name]
Thiopyrano[4,3-c]pyrazole, 3-(chloromethyl)-2,4,6,7-tetrahydro- [ACD/Index Name]
2091576-70-2 [RN]
MFCD30010133

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 414.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 204.3±28.7 °C
    Index of Refraction: 1.644
    Molar Refractivity: 48.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 2.30
    ACD/BCF (pH 5.5): 32.75
    ACD/KOC (pH 5.5): 422.83
    ACD/LogD (pH 7.4): 2.30
    ACD/BCF (pH 7.4): 32.77
    ACD/KOC (pH 7.4): 423.02
    Polar Surface Area: 54 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 61.5±3.0 dyne/cm
    Molar Volume: 135.0±3.0 cm3

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