ChemSpider 2D Image | 2-[(4-Amino-6-methyl-2-pyrimidinyl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide | C13H12FN5O3S

2-[(4-Amino-6-methyl-2-pyrimidinyl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide

  • Molecular FormulaC13H12FN5O3S
  • Average mass337.329 Da
  • Monoisotopic mass337.064484 Da
  • ChemSpider ID31325765

More details:

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

2-[(4-Amino-6-methyl-2-pyrimidinyl)sulfanyl]-N-(4-fluor-3-nitrophenyl)acetamid [German] [ACD/IUPAC Name]
2-[(4-Amino-6-methyl-2-pyrimidinyl)sulfanyl]-N-(4-fluoro-3-nitrophenyl)acetamide [ACD/IUPAC Name]
2-[(4-Amino-6-méthyl-2-pyrimidinyl)sulfanyl]-N-(4-fluoro-3-nitrophényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(4-fluoro-3-nitrophenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 615.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.7±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.48
ACD/KOC (pH 5.5): 357.24
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.03
ACD/KOC (pH 7.4): 378.19
Polar Surface Area: 152 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 222.8±5.0 cm3

Click to predict properties on the Chemicalize site


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