ChemSpider 2D Image | 6-[2-(4-Fluorophenyl)ethyl]-7-imino-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione | C19H15FN4S2

6-[2-(4-Fluorophenyl)ethyl]-7-imino-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione

  • Molecular FormulaC19H15FN4S2
  • Average mass382.478 Da
  • Monoisotopic mass382.072205 Da
  • ChemSpider ID30655954

More details:

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

6-[2-(4-Fluorophenyl)ethyl]-7-imino-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione [ACD/IUPAC Name]
6-[2-(4-Fluorophényl)éthyl]-7-imino-3-phényl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione [French] [ACD/IUPAC Name]
6-[2-(4-Fluorphenyl)ethyl]-7-imino-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-thion [German] [ACD/IUPAC Name]
Thiazolo[4,5-d]pyrimidine-2(3H)-thione, 6-[2-(4-fluorophenyl)ethyl]-6,7-dihydro-7-imino-3-phenyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.7±32.9 °C
Index of Refraction: 1.718
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 10.01
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 48.87
Polar Surface Area: 100 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 273.5±7.0 cm3

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