ChemSpider 2D Image | Ethyl {[2-(3-nitrophenyl)-4-phenyl-1H-imidazol-5-yl]sulfanyl}acetate | C19H17N3O4S

Ethyl {[2-(3-nitrophenyl)-4-phenyl-1H-imidazol-5-yl]sulfanyl}acetate

  • Molecular FormulaC19H17N3O4S
  • Average mass383.421 Da
  • Monoisotopic mass383.093964 Da
  • ChemSpider ID21107404

More details:

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

{[2-(3-Nitrophényl)-4-phényl-1H-imidazol-5-yl]sulfanyl}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[2-(3-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]thio]-, ethyl ester [ACD/Index Name]
Ethyl {[2-(3-nitrophenyl)-4-phenyl-1H-imidazol-5-yl]sulfanyl}acetate [ACD/IUPAC Name]
ethyl 2-((2-(3-nitrophenyl)-5-phenyl-1H-imidazol-4-yl)sulfanyl)acetate
Ethyl-{[2-(3-nitrophenyl)-4-phenyl-1H-imidazol-5-yl]sulfanyl}acetat [German] [ACD/IUPAC Name]
ACETIC ACID, [[2-(3-NITROPHENYL)-5-PHENYL-1H-IMIDAZOL-4-YL]THIO]-, ETHYLESTER

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.7±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: 325.6±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1521.95
ACD/KOC (pH 5.5): 6587.28
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1527.49
ACD/KOC (pH 7.4): 6611.26
Polar Surface Area: 126 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 275.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement