ChemSpider 2D Image | 4-{[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-3-nitrobenzoic acid | C12H8N4O6S

4-{[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-3-nitrobenzoic acid

  • Molecular FormulaC12H8N4O6S
  • Average mass336.280 Da
  • Monoisotopic mass336.016449 Da
  • ChemSpider ID27427769

More details:

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

4-{[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinyliden)methyl]amino}-3-nitrobenzoesäure [German] [ACD/IUPAC Name]
4-{[(4,6-Dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-3-nitrobenzoic acid [ACD/IUPAC Name]
Acide 4-{[(4,6-dioxo-2-thioxotétrahydro-5(2H)-pyrimidinylidène)méthyl]amino}-3-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-nitro-4-[[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]- [ACD/Index Name]
4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-nitrobenzoic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.756
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 109.9±5.0 dyne/cm
Molar Volume: 190.8±5.0 cm3

Click to predict properties on the Chemicalize site


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