ChemSpider 2D Image | 5,7-Dimethyl-3-(methylsulfonyl)[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | C8H9N3O4S2

5,7-Dimethyl-3-(methylsulfonyl)[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

  • Molecular FormulaC8H9N3O4S2
  • Average mass275.305 Da
  • Monoisotopic mass275.003448 Da
  • ChemSpider ID58929998

More details:

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

5,7-Dimethyl-3-(methylsulfonyl)[1,2]thiazolo[3,4-d]pyrimidin-4,6(5H,7H)-dion [German] [ACD/IUPAC Name]
5,7-Dimethyl-3-(methylsulfonyl)[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione [ACD/IUPAC Name]
5,7-Diméthyl-3-(méthylsulfonyl)[1,2]thiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione [French] [ACD/IUPAC Name]
Isothiazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-3-(methylsulfonyl)- [ACD/Index Name]
MMV687251

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

Density: 1.6±0.1 g/cm3
Boiling Point: 435.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.4±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.96
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.96
Polar Surface Area: 124 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 175.8±3.0 cm3

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