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Search term: NWRVFNMDGCWLFD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-(Methylsulfanyl)-1-propyl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione | C10H11N3O3S

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

  • Molecular FormulaC10H11N3O3S
  • Average mass253.278 Da
  • Monoisotopic mass253.052109 Da
  • ChemSpider ID24609701

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-propyl- [ACD/Index Name]
7-(Methylsulfanyl)-1-propyl-2H-pyrimido[4,5-d][1,3]oxazin-2,4(1H)-dion [German] [ACD/IUPAC Name]
7-(Methylsulfanyl)-1-propyl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione [ACD/IUPAC Name]
7-(Méthylsulfanyl)-1-propyl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione [French] [ACD/IUPAC Name]
[1253789-69-3] [RN]
1253789-69-3 [RN]
2-(2,3-Dihydro-1,3-benzothiazol-2-yl)benzonitrile [ACD/IUPAC Name]
7-(Methylthio)-1-propyl-1H-pyrimido-[4,5-d] [1,3]oxazine-2,4-dione
7-(methylthio)-1-propyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
7-(Methylthio)-1-propyl-1H-pyrimido-[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

Density: 1.4±0.1 g/cm3
Boiling Point: 423.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.2±26.5 °C
Index of Refraction: 1.623
Molar Refractivity: 61.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.46
ACD/KOC (pH 5.5): 117.25
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 117.25
Polar Surface Area: 98 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 175.7±5.0 cm3

Click to predict properties on the Chemicalize site


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