ChemSpider 2D Image | 7-(Methylsulfanyl)-1-(2-propyn-1-yl)-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione | C10H7N3O3S

7-(Methylsulfanyl)-1-(2-propyn-1-yl)-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione

  • Molecular FormulaC10H7N3O3S
  • Average mass249.246 Da
  • Monoisotopic mass249.020813 Da
  • ChemSpider ID24609704

More details:

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

2H-Pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione, 7-(methylthio)-1-(2-propyn-1-yl)- [ACD/Index Name]
7-(Methylsulfanyl)-1-(2-propin-1-yl)-2H-pyrimido[4,5-d][1,3]oxazin-2,4(1H)-dion [German] [ACD/IUPAC Name]
7-(Methylsulfanyl)-1-(2-propyn-1-yl)-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione [ACD/IUPAC Name]
7-(Méthylsulfanyl)-1-(2-propyn-1-yl)-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione [French] [ACD/IUPAC Name]
[1253792-66-3] [RN]
1253792-66-3 [RN]
7-(Methylthio)-1-(prop-2-yn-1-yl)-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
7-(methylthio)-1-(prop-2-ynyl)-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
7-(Methylthio)-1-(prop-2-ynyl)-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione
7-methylsulfanyl-1-prop-2-ynylpyrimido[4,5-d][1,3]oxazine-2,4-dione
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 438.7±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.1±30.4 °C
Index of Refraction: 1.666
Molar Refractivity: 59.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 72.02
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 72.02
Polar Surface Area: 98 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 87.2±5.0 dyne/cm
Molar Volume: 160.6±5.0 cm3

Click to predict properties on the Chemicalize site


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