Found 352 results

Search term: MF = 'C_{22}H_{24}N_{4}S'
ChemSpider 2D Image | 2-(Allylamino)-4-(benzylsulfanyl)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile | C22H24N4S

2-(Allylamino)-4-(benzylsulfanyl)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

  • Molecular FormulaC22H24N4S
  • Average mass376.518 Da
  • Monoisotopic mass376.172180 Da
  • ChemSpider ID26031751

More details:

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

2-(Allylamino)-4-(benzylsulfanyl)-3-azaspiro[5.5]undeca-1,4-dien-1,5-dicarbonitril [German] [ACD/IUPAC Name]
2-(Allylamino)-4-(benzylsulfanyl)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile [ACD/IUPAC Name]
2-(Allylamino)-4-(benzylsulfanyl)-3-azaspiro[5.5]undéca-1,4-diène-1,5-dicarbonitrile [French] [ACD/IUPAC Name]
3-Azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile, 2-[(phenylmethyl)thio]-4-(2-propen-1-ylamino)- [ACD/Index Name]
1313049-31-8 [RN]
2-(benzylsulfanyl)-4-(prop-2-en-1-ylamino)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
4-benzylsulfanyl-2-(prop-2-enylamino)-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 622.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.2±3.0 kJ/mol
    Flash Point: 330.0±31.5 °C
    Index of Refraction: 1.627
    Molar Refractivity: 110.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.37
    ACD/LogD (pH 5.5): 4.83
    ACD/BCF (pH 5.5): 2732.96
    ACD/KOC (pH 5.5): 9973.63
    ACD/LogD (pH 7.4): 4.84
    ACD/BCF (pH 7.4): 2792.27
    ACD/KOC (pH 7.4): 10190.08
    Polar Surface Area: 97 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 57.4±5.0 dyne/cm
    Molar Volume: 312.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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