ChemSpider 2D Image | 1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane | C8H14N4S

1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane

  • Molecular FormulaC8H14N4S
  • Average mass198.289 Da
  • Monoisotopic mass198.093918 Da
  • ChemSpider ID28546015

More details:






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

1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane [ACD/IUPAC Name]
1-(3-Méthyl-1,2,4-thiadiazol-5-yl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-(3-methyl-1,2,4-thiadiazol-5-yl)- [ACD/Index Name]
1354961-32-2 [RN]
MFCD20502069

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 340.3±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.4±3.0 kJ/mol
    Flash Point: 159.6±30.7 °C
    Index of Refraction: 1.555
    Molar Refractivity: 53.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.21
    ACD/LogD (pH 5.5): -3.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 69 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 167.7±3.0 cm3

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