ChemSpider 2D Image | [(4-Amino-1,3,5-triazin-2-yl)sulfanyl]acetonitrile | C5H5N5S

[(4-Amino-1,3,5-triazin-2-yl)sulfanyl]acetonitrile

  • Molecular FormulaC5H5N5S
  • Average mass167.192 Da
  • Monoisotopic mass167.026566 Da
  • ChemSpider ID21801344

More details:

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

[(4-Amino-1,3,5-triazin-2-yl)sulfanyl]acetonitril [German] [ACD/IUPAC Name]
[(4-Amino-1,3,5-triazin-2-yl)sulfanyl]acetonitrile [ACD/IUPAC Name]
[(4-Amino-1,3,5-triazin-2-yl)sulfanyl]acétonitrile [French] [ACD/IUPAC Name]
1142201-16-8 [RN]
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetonitrile
Acetonitrile, 2-[(4-amino-1,3,5-triazin-2-yl)thio]- [ACD/Index Name]
[(4-Amino-1,3,5-triazin-2-yl)thio]acetonitrile
2-((4-amino-1,3,5-triazin-2-yl)thio)acetonitrile
2-(4-amino-1,3,5-triazin-2-ylthio)ethanenitrile
MFCD12027976 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 478.0±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.2±3.0 kJ/mol
    Flash Point: 242.9±29.3 °C
    Index of Refraction: 1.646
    Molar Refractivity: 41.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.29
    ACD/LogD (pH 5.5): -0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.66
    ACD/LogD (pH 7.4): -0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.69
    Polar Surface Area: 114 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 103.7±5.0 dyne/cm
    Molar Volume: 112.8±5.0 cm3

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