ChemSpider 2D Image | 3-(3-Methoxyphenyl)-6-methyl-2,5-dithioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one | C13H11N3O2S3

3-(3-Methoxyphenyl)-6-methyl-2,5-dithioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one

  • Molecular FormulaC13H11N3O2S3
  • Average mass337.440 Da
  • Monoisotopic mass337.001343 Da
  • ChemSpider ID26456833

More details:

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

3-(3-Methoxyphenyl)-6-methyl-2,5-dithioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-on [German] [ACD/IUPAC Name]
3-(3-Methoxyphenyl)-6-methyl-2,5-dithioxo-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one [ACD/IUPAC Name]
3-(3-Méthoxyphényl)-6-méthyl-2,5-dithioxo-2,3,5,6-tétrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one [French] [ACD/IUPAC Name]
Thiazolo[4,5-d]pyrimidin-7(4H)-one, 2,3,5,6-tetrahydro-3-(3-methoxyphenyl)-6-methyl-2,5-dithioxo- [ACD/Index Name]
1325304-36-6 [RN]
3-(3-methoxyphenyl)-6-methyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
3-(3-Methoxy-phenyl)-6-methyl-2,5-dithioxo-2,3,5,6-tetrahydro-4H-thiazolo[4,5-d]pyrimidin-7-one
3-(3-methoxyphenyl)-6-methyl-5-sulfanyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-Mercapto-3-(3-methoxy-phenyl)-6-methyl-2-thioxo-2,3-dihydro-6H-thiazolo[4,5-d]pyrimidin-7-one
MFCD20232267 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 472.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.5±3.0 kJ/mol
    Flash Point: 239.3±31.5 °C
    Index of Refraction: 1.771
    Molar Refractivity: 90.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.95
    ACD/LogD (pH 5.5): 1.16
    ACD/BCF (pH 5.5): 3.82
    ACD/KOC (pH 5.5): 75.91
    ACD/LogD (pH 7.4): -0.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.05
    Polar Surface Area: 141 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 57.6±7.0 dyne/cm
    Molar Volume: 216.6±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement