ChemSpider 2D Image | 5-{[(5-Phenyl-1,3,4-thiadiazol-2-yl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | C13H9N5O2S2

5-{[(5-Phenyl-1,3,4-thiadiazol-2-yl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC13H9N5O2S2
  • Average mass331.373 Da
  • Monoisotopic mass331.019775 Da
  • ChemSpider ID27425292

More details:

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

4,6(1H,5H)-Pyrimidinedione, dihydro-5-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methylene]-2-thioxo- [ACD/Index Name]
5-{[(5-Phenyl-1,3,4-thiadiazol-2-yl)amino]methylen}-2-thioxodihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
5-{[(5-Phenyl-1,3,4-thiadiazol-2-yl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
5-{[(5-Phényl-1,3,4-thiadiazol-2-yl)amino]méthylène}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-[(5-Phenyl-[1,3,4]thiadiazol-2-ylamino)-methylene]-2-thioxo-dihydro-pyrimidine-4,6-dione
5-{[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.764
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.56
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 204.1±5.0 cm3

Click to predict properties on the Chemicalize site


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