ChemSpider 2D Image | 3-methanesulfinyl-1H-1,2,4-triazole | C3H5N3OS

3-methanesulfinyl-1H-1,2,4-triazole

  • Molecular FormulaC3H5N3OS
  • Average mass131.156 Da
  • Monoisotopic mass131.015335 Da
  • ChemSpider ID25993290

More details:

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

1258639-46-1 [RN]
1H-1,2,4-Triazole, 5-(methylsulfinyl)-
3-(Methylsulfinyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-(Methylsulfinyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
3-(Méthylsulfinyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-methanesulfinyl-1H-1,2,4-triazole
4H-1,2,4-Triazole, 3-(methylsulfinyl)- [ACD/Index Name]
3-Methanesulfinyl-1H-[1,2,4]triazole
3-methanesulfinyl-4H-1,2,4-triazole
5-methylsulfinyl-1H-1,2,4-triazole
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 398.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 194.9±23.2 °C
    Index of Refraction: 1.646
    Molar Refractivity: 29.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.90
    ACD/LogD (pH 5.5): -1.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.29
    ACD/LogD (pH 7.4): -2.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.08
    Polar Surface Area: 78 Å2
    Polarizability: 11.8±0.5 10-24cm3
    Surface Tension: 115.8±5.0 dyne/cm
    Molar Volume: 82.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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