ChemSpider 2D Image | 6-Amino-3-benzyl-2-(methylsulfanyl)-5-nitroso-4(3H)-pyrimidinone | C12H12N4O2S

6-Amino-3-benzyl-2-(methylsulfanyl)-5-nitroso-4(3H)-pyrimidinone

  • Molecular FormulaC12H12N4O2S
  • Average mass276.314 Da
  • Monoisotopic mass276.068085 Da
  • ChemSpider ID30652369

More details:

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

4(3H)-Pyrimidinone, 6-amino-2-(methylthio)-5-nitroso-3-(phenylmethyl)- [ACD/Index Name]
6-Amino-3-benzyl-2-(methylsulfanyl)-5-nitroso-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
6-Amino-3-benzyl-2-(methylsulfanyl)-5-nitroso-4(3H)-pyrimidinone [ACD/IUPAC Name]
6-Amino-3-benzyl-2-(méthylsulfanyl)-5-nitroso-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
624286-85-7 [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: 402.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.3±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 74.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.48
ACD/KOC (pH 5.5): 66.64
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 66.64
Polar Surface Area: 113 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 194.0±7.0 cm3

Click to predict properties on the Chemicalize site


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