ChemSpider 2D Image | 5-Nitro-2-pyridinyl carbamimidothioate | C6H6N4O2S

5-Nitro-2-pyridinyl carbamimidothioate

  • Molecular FormulaC6H6N4O2S
  • Average mass198.202 Da
  • Monoisotopic mass198.021149 Da
  • ChemSpider ID21112862

More details:

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

[(5-NITROPYRIDIN-2-YL)SULFANYL]METHANIMIDAMIDE
5-Nitro-2-pyridinyl carbamimidothioate [ACD/IUPAC Name]
5-Nitro-2-pyridinyl ester carbamimidothioic acid
5-Nitro-2-pyridinylcarbamimidothioat [German] [ACD/IUPAC Name]
5-Nitropyridin-2-yl carbamimidothioate
96592-03-9 [RN]
Carbamimidothioate de 5-nitro-2-pyridinyle [French] [ACD/IUPAC Name]
Carbamimidothioic acid, 5-nitro-2-pyridinyl ester [ACD/Index Name]
(5-nitro(2-pyridyl))thiocarboxamidine
(5-nitropyridin-2-yl) carbamimidothioate
More...

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 392.3±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 191.1±30.7 °C
    Index of Refraction: 1.742
    Molar Refractivity: 48.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.74
    ACD/LogD (pH 5.5): -0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.04
    ACD/LogD (pH 7.4): 0.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 32.61
    Polar Surface Area: 134 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 84.6±7.0 dyne/cm
    Molar Volume: 118.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement