ChemSpider 2D Image | 3-Chloro-N,N-diethyl-6-(2-methyl-2-propanyl)-1-benzothiophene-2-carboxamide | C17H22ClNOS

3-Chloro-N,N-diethyl-6-(2-methyl-2-propanyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC17H22ClNOS
  • Average mass323.881 Da
  • Monoisotopic mass323.111053 Da
  • ChemSpider ID21666257

More details:

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

3-Chlor-N,N-diethyl-6-(2-methyl-2-propanyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
3-Chloro-N,N-diethyl-6-(2-methyl-2-propanyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
3-Chloro-N,N-diéthyl-6-(2-méthyl-2-propanyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 3-chloro-6-(1,1-dimethylethyl)-N,N-diethyl- [ACD/Index Name]
6-tert-butyl-3-chloro-N,N-diethyl-1-benzothiophene-2-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.7±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11228.82
ACD/KOC (pH 5.5): 27594.23
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11228.82
ACD/KOC (pH 7.4): 27594.23
Polar Surface Area: 49 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

Click to predict properties on the Chemicalize site


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