Found 41 results

Search term: MF = 'C_{15}H_{12}INO_{2}S'
ChemSpider 2D Image | 2-(4-Ethoxyphenyl)-3-(5-iodo-3-thienyl)-3-oxopropanenitrile | C15H12INO2S

2-(4-Ethoxyphenyl)-3-(5-iodo-3-thienyl)-3-oxopropanenitrile

  • Molecular FormulaC15H12INO2S
  • Average mass397.231 Da
  • Monoisotopic mass396.963348 Da
  • ChemSpider ID36285920

More details:

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

2-(4-Ethoxyphenyl)-3-(5-iod-3-thienyl)-3-oxopropannitril [German] [ACD/IUPAC Name]
2-(4-Ethoxyphenyl)-3-(5-iodo-3-thienyl)-3-oxopropanenitrile [ACD/IUPAC Name]
2-(4-Éthoxyphényl)-3-(5-iodo-3-thiényl)-3-oxopropanenitrile [French] [ACD/IUPAC Name]
3-Thiophenepropanenitrile, α-(4-ethoxyphenyl)-5-iodo-β-oxo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 506.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.3±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 78 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 244.4±3.0 cm3

Click to predict properties on the Chemicalize site


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