ChemSpider 2D Image | 11-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]undecanoic acid | C15H27N3O2S

11-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]undecanoic acid

  • Molecular FormulaC15H27N3O2S
  • Average mass313.459 Da
  • Monoisotopic mass313.182404 Da
  • ChemSpider ID28637219

More details:

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

11-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]undecanoic acid [ACD/IUPAC Name]
11-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]undecansäure [German] [ACD/IUPAC Name]
Acide 11-[(4,5-diméthyl-4H-1,2,4-triazol-3-yl)sulfanyl]undécanoïque [French] [ACD/IUPAC Name]
Undecanoic acid, 11-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]- [ACD/Index Name]
11-((4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio)undecanoic acid
11-(4,5-dimethyl-1,2,4-triazol-3-ylthio)undecanoic acid
11-(4,5-Dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-undecanoic acid
11-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]undecanoic acid
11-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]undecanoic acid
1370048-66-0 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 514.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±3.0 kJ/mol
    Flash Point: 264.9±27.9 °C
    Index of Refraction: 1.560
    Molar Refractivity: 88.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 3.88
    ACD/LogD (pH 5.5): 3.13
    ACD/BCF (pH 5.5): 91.54
    ACD/KOC (pH 5.5): 523.83
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 1.47
    ACD/KOC (pH 7.4): 8.41
    Polar Surface Area: 93 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 42.7±7.0 dyne/cm
    Molar Volume: 273.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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