ChemSpider 2D Image | 3-(2,4-Dichlorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one | C13H8Cl2N2OS

3-(2,4-Dichlorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC13H8Cl2N2OS
  • Average mass311.186 Da
  • Monoisotopic mass309.973450 Da
  • ChemSpider ID22066659

More details:

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

3-(2,4-Dichlorbenzyl)thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-(2,4-Dichlorobenzyl)thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(2,4-Dichlorobenzyl)thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 3-[(2,4-dichlorophenyl)methyl]- [ACD/Index Name]
1009970-09-5 [RN]
3-(2,4-Dichloro-benzyl)-3H-thieno[3,2-d]pyrimidin-4-one
3-[(2,4-dichlorophenyl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one
3-[(2,4-dichlorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one
c13h8cl2n2os

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 481.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±3.0 kJ/mol
    Flash Point: 245.0±31.5 °C
    Index of Refraction: 1.717
    Molar Refractivity: 79.7±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.35
    ACD/LogD (pH 5.5): 3.92
    ACD/BCF (pH 5.5): 562.71
    ACD/KOC (pH 5.5): 3237.84
    ACD/LogD (pH 7.4): 3.92
    ACD/BCF (pH 7.4): 562.71
    ACD/KOC (pH 7.4): 3237.84
    Polar Surface Area: 61 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 58.1±7.0 dyne/cm
    Molar Volume: 202.3±7.0 cm3

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