ChemSpider 2D Image | 6-(4-Methylbenzyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione | C13H11N3O2S

6-(4-Methylbenzyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

  • Molecular FormulaC13H11N3O2S
  • Average mass273.310 Da
  • Monoisotopic mass273.057190 Da
  • ChemSpider ID27319119

More details:

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

1326942-95-3 [RN]
6-(4-Methylbenzyl)[1,2]thiazolo[4,3-d]pyrimidin-5,7(4H,6H)-dion [German] [ACD/IUPAC Name]
6-(4-Methylbenzyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione [ACD/IUPAC Name]
6-(4-Méthylbenzyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione [French] [ACD/IUPAC Name]
6-[(4-methylphenyl)methyl]-4H,5H,6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
Isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione, 6-[(4-methylphenyl)methyl]- [ACD/Index Name]
[1326942-95-3] [RN]
6-(4-Methyl-benzyl)-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione
6-(4-methylbenzyl)isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
6-[(4-methylphenyl)methyl]-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.660
    Molar Refractivity: 71.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.68
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.46
    ACD/KOC (pH 5.5): 567.97
    ACD/LogD (pH 7.4): 2.53
    ACD/BCF (pH 7.4): 49.45
    ACD/KOC (pH 7.4): 567.91
    Polar Surface Area: 91 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 65.1±3.0 dyne/cm
    Molar Volume: 193.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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