ChemSpider 2D Image | Methyl 5-acetyl-2-{[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-methyl-3-thiophenecarboxylate | C14H13N3O5S2

Methyl 5-acetyl-2-{[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC14H13N3O5S2
  • Average mass367.400 Da
  • Monoisotopic mass367.029663 Da
  • ChemSpider ID24593969

More details:

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

3-Thiophenecarboxylic acid, 5-acetyl-4-methyl-2-[[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]-, methyl ester [ACD/Index Name]
5-Acétyl-2-{[(4,6-dioxo-2-thioxotétrahydro-5(2H)-pyrimidinylidène)méthyl]amino}-4-méthyl-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-acetyl-2-{[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-acetyl-2-{[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden)methyl]amino}-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
1232805-39-8 [RN]
5-Acetyl-2-[(4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-amino]-4-methyl-thiophene-3-carboxylic acid methyl ester
methyl 5-acetyl-2-(((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-methylthiophene-3-carboxylate
methyl 5-acetyl-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-4-methylthiophene-3-carboxylate
methyl 5-acetyl-2-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4-methylthiophene-3-carboxylate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.667
    Molar Refractivity: 89.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.30
    ACD/KOC (pH 5.5): 23.38
    ACD/LogD (pH 7.4): -0.82
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 174 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 77.8±5.0 dyne/cm
    Molar Volume: 239.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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