ChemSpider 2D Image | 4-Sulfanylnicotinonitrile | C6H4N2S

4-Sulfanylnicotinonitrile

  • Molecular FormulaC6H4N2S
  • Average mass136.174 Da
  • Monoisotopic mass136.009521 Da
  • ChemSpider ID35504160

More details:

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

3-Pyridinecarbonitrile, 4-mercapto- [ACD/Index Name]
4-Sulfanylnicotinonitril [German] [ACD/IUPAC Name]
4-Sulfanylnicotinonitrile [ACD/IUPAC Name]
4-Sulfanylnicotinonitrile [French] [ACD/IUPAC Name]
1517075-92-1 [RN]
4-Mercaptonicotinonitrile
4-Mercapto-nicotinonitrile
4-sulfanylidene-1H-pyridine-3-carbonitrile
4-sulfanylpyridine-3-carbonitrile
AKOS023410881
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 294.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.5±3.0 kJ/mol
    Flash Point: 132.2±23.2 °C
    Index of Refraction: 1.608
    Molar Refractivity: 37.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.00
    ACD/LogD (pH 5.5): -0.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 14.7±0.5 10-24cm3
    Surface Tension: 61.8±5.0 dyne/cm
    Molar Volume: 106.9±5.0 cm3

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