ChemSpider 2D Image | 2-Cyano-3-ethoxy-1-{[4-(2-methyl-2-propanyl)phenyl]amino}-3-oxo-1-propene-1-thiolate | C16H19N2O2S

2-Cyano-3-ethoxy-1-{[4-(2-methyl-2-propanyl)phenyl]amino}-3-oxo-1-propene-1-thiolate

  • Molecular FormulaC16H19N2O2S
  • Average mass303.400 Da
  • Monoisotopic mass303.117279 Da
  • ChemSpider ID35249658

  • Charge - Charge

More details:

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

2-Cyan-3-ethoxy-1-{[4-(2-methyl-2-propanyl)phenyl]amino}-3-oxo-1-propen-1-thiolat [German] [ACD/IUPAC Name]
2-Cyano-3-ethoxy-1-{[4-(2-methyl-2-propanyl)phenyl]amino}-3-oxo-1-propene-1-thiolate [ACD/IUPAC Name]
2-Cyano-3-éthoxy-1-{[4-(2-méthyl-2-propanyl)phényl]amino}-3-oxo-1-propène-1-thiolate [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-[[4-(1,1-dimethylethyl)phenyl]amino]-3-mercapto-, ethyl ester, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 412.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.3±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 417.34
ACD/KOC (pH 5.5): 2380.84
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 18.32
ACD/KOC (pH 7.4): 104.50
Polar Surface Area: 62 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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