ChemSpider 2D Image | 2-[[(3-Methyl-4-nitro-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole | C14H12N4O3S

2-[[(3-Methyl-4-nitro-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole

  • Molecular FormulaC14H12N4O3S
  • Average mass316.335 Da
  • Monoisotopic mass316.063019 Da
  • ChemSpider ID23349748

More details:

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

142384-07-4 [RN]
1H-Benzimidazole, 2-[[(3-methyl-4-nitro-2-pyridinyl)methyl]sulfinyl]- [ACD/Index Name]
2-[[(3-Methyl-4-nitro-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
2-{[(3-Methyl-4-nitro-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{[(3-Methyl-4-nitro-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole [ACD/IUPAC Name]
2-{[(3-Méthyl-4-nitro-2-pyridinyl)méthyl]sulfinyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
2-{[(3-Methyl-4-nitropyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
(S)-2-(((3-Methyl-4-nitropyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole
1H-BENZIMIDAZOLE 2-[[(3-METHYL-4-NITRO-2-PYRIDINYL)METHYL]SULFINYL]-
2-[(3-Methyl-4-nitropyridin-2-yl)methanesulfinyl]-1H-benzimidazole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 631.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.4±3.0 kJ/mol
    Flash Point: 335.6±34.3 °C
    Index of Refraction: 1.747
    Molar Refractivity: 82.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 11.12
    ACD/KOC (pH 5.5): 194.88
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 11.16
    ACD/KOC (pH 7.4): 195.52
    Polar Surface Area: 124 Å2
    Polarizability: 32.8±0.5 10-24cm3
    Surface Tension: 99.4±5.0 dyne/cm
    Molar Volume: 203.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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