ChemSpider 2D Image | 6-[(2-Chlorobenzyl)amino]-4(1H)-pyrimidinethione | C11H10ClN3S

6-[(2-Chlorobenzyl)amino]-4(1H)-pyrimidinethione

  • Molecular FormulaC11H10ClN3S
  • Average mass251.735 Da
  • Monoisotopic mass251.028397 Da
  • ChemSpider ID24595048

More details:

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

4(3H)-Pyrimidinethione, 6-[[(2-chlorophenyl)methyl]amino]- [ACD/Index Name]
6-[(2-Chlorbenzyl)amino]-4(1H)-pyrimidinthion [German] [ACD/IUPAC Name]
6-[(2-Chlorobenzyl)amino]-4(1H)-pyrimidinethione [ACD/IUPAC Name]
6-[(2-Chlorobenzyl)amino]-4(1H)-pyrimidinethione [French] [ACD/IUPAC Name]
1223889-03-9 [RN]
6-(2-Chloro-benzylamino)-3H-pyrimidine-4-thione
6-[(2-chlorobenzyl)amino]-4(3H)-pyrimidinethione
6-[(2-chlorobenzyl)amino]pyrimidine-4(3H)-thione
6-[(2-chlorophenyl)methylamino]-1H-pyrimidine-4-thione
MFCD00129579 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 406.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.8±3.0 kJ/mol
    Flash Point: 199.4±31.5 °C
    Index of Refraction: 1.672
    Molar Refractivity: 69.2±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 1.98
    ACD/BCF (pH 5.5): 18.77
    ACD/KOC (pH 5.5): 283.62
    ACD/LogD (pH 7.4): 1.94
    ACD/BCF (pH 7.4): 17.15
    ACD/KOC (pH 7.4): 259.10
    Polar Surface Area: 69 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 184.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement