ChemSpider 2D Image | 7-Methyl-2-[(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one | C13H9N5O2S2

7-Methyl-2-[(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

  • Molecular FormulaC13H9N5O2S2
  • Average mass331.373 Da
  • Monoisotopic mass331.019775 Da
  • ChemSpider ID22452159

More details:

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

5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one, 7-methyl-2-[(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)methyl]- [ACD/Index Name]
7-Methyl-2-[(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-on [German] [ACD/IUPAC Name]
7-Methyl-2-[(4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)methyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [ACD/IUPAC Name]
7-Méthyl-2-[(4-oxothiéno[2,3-d]pyrimidin-3(4H)-yl)méthyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 541.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±32.9 °C
Index of Refraction: 1.897
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 38.79
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 38.79
Polar Surface Area: 131 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 86.1±7.0 dyne/cm
Molar Volume: 186.3±7.0 cm3

Click to predict properties on the Chemicalize site


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