ChemSpider 2D Image | 5-(2-phenylcyclopropyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol | C14H15N3S

5-(2-phenylcyclopropyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC14H15N3S
  • Average mass257.354 Da
  • Monoisotopic mass257.098663 Da
  • ChemSpider ID21330009

More details:

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

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-phenylcyclopropyl)-4-(2-propen-1-yl)- [ACD/Index Name]
4-Allyl-5-(2-phenylcyclopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Allyl-5-(2-phenylcyclopropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Allyl-5-(2-phénylcyclopropyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-(2-phenylcyclopropyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
870540-55-9 [RN]
3-(2-phenylcyclopropyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
VS-14387

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

MFCD04968885 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 438.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 219.1±31.5 °C
    Index of Refraction: 1.690
    Molar Refractivity: 76.6±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.25
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 5.85
    ACD/KOC (pH 5.5): 53.47
    ACD/LogD (pH 7.4): 1.01
    ACD/BCF (pH 7.4): 1.16
    ACD/KOC (pH 7.4): 10.59
    Polar Surface Area: 70 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 47.2±7.0 dyne/cm
    Molar Volume: 200.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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