ChemSpider 2D Image | 2-(Methylsulfanyl)furo[3,4-d]pyrimidine-5,7-dione | C7H4N2O3S

2-(Methylsulfanyl)furo[3,4-d]pyrimidine-5,7-dione

  • Molecular FormulaC7H4N2O3S
  • Average mass196.183 Da
  • Monoisotopic mass195.994263 Da
  • ChemSpider ID24598702

More details:

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

2-(Methylsulfanyl)furo[3,4-d]pyrimidin-5,7-dion [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)furo[3,4-d]pyrimidine-5,7-dione [ACD/IUPAC Name]
2-(Méthylsulfanyl)furo[3,4-d]pyrimidine-5,7-dione [French] [ACD/IUPAC Name]
Furo[3,4-d]pyrimidine-5,7-dione, 2-(methylthio)- [ACD/Index Name]
[241469-90-9] [RN]
2-(Methylthio)furo[3,4-d]pyrimidine-5,7-dione
241469-90-9 [RN]
MFCD13195440 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 415.5±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.1±21.2 °C
Index of Refraction: 1.657
Molar Refractivity: 44.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 51.87
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.87
Polar Surface Area: 94 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 85.2±5.0 dyne/cm
Molar Volume: 120.1±5.0 cm3

Click to predict properties on the Chemicalize site


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