ChemSpider 2D Image | 3-[4-Amino-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]-3-oxopropanenitrile | C9H10N4O2S

3-[4-Amino-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]-3-oxopropanenitrile

  • Molecular FormulaC9H10N4O2S
  • Average mass238.266 Da
  • Monoisotopic mass238.052444 Da
  • ChemSpider ID21118946

More details:

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

3-[4-Amino-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]-3-oxopropanenitrile [ACD/IUPAC Name]
3-[4-Amino-1-méthyl-2-(méthylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinyl]-3-oxopropanenitrile [French] [ACD/IUPAC Name]
5-Pyrimidinepropanenitrile, 4-amino-1,6-dihydro-1-methyl-2-(methylthio)-β,6-dioxo- [ACD/Index Name]
1067232-84-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 415.6±55.0 °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±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -3.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 165.4±7.0 cm3

Click to predict properties on the Chemicalize site


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