ChemSpider 2D Image | 2-Chloro-N-[3-cyano-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide | C16H21ClN2OS

2-Chloro-N-[3-cyano-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide

  • Molecular FormulaC16H21ClN2OS
  • Average mass324.869 Da
  • Monoisotopic mass324.106323 Da
  • ChemSpider ID27444472

More details:

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

2-Chlor-N-[3-cyan-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamid [German] [ACD/IUPAC Name]
2-Chloro-N-[3-cyano-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide [ACD/IUPAC Name]
2-Chloro-N-[3-cyano-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophén-2-yl]propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-chloro-N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]- [ACD/Index Name]
1365963-84-3 [RN]
MFCD22056600 [MDL number]
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloropropanamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloropropanamide
propanamide, 2-chloro-N-[3-cyano-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 501.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 257.2±30.1 °C
    Index of Refraction: 1.561
    Molar Refractivity: 86.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.69
    ACD/LogD (pH 5.5): 4.37
    ACD/BCF (pH 5.5): 1237.59
    ACD/KOC (pH 5.5): 5692.00
    ACD/LogD (pH 7.4): 4.37
    ACD/BCF (pH 7.4): 1237.54
    ACD/KOC (pH 7.4): 5691.80
    Polar Surface Area: 81 Å2
    Polarizability: 34.5±0.5 10-24cm3
    Surface Tension: 48.7±5.0 dyne/cm
    Molar Volume: 268.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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