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Search term: UOSKGZBEXDWULG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Amino-5-(1-azepanylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C9H17N5S

4-Amino-5-(1-azepanylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC9H17N5S
  • Average mass227.330 Da
  • Monoisotopic mass227.120468 Da
  • ChemSpider ID26022848

More details:

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

3H-1,2,4-Triazole-3-thione, 4-amino-5-[(hexahydro-1H-azepin-1-yl)methyl]-2,4-dihydro- [ACD/Index Name]
4-Amino-5-(1-azepanylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Amino-5-(1-azepanylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Amino-5-(1-azépanylméthyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
1260923-15-6 [RN]
4-amino-3-(azepan-1-ylmethyl)-1H-1,2,4-triazole-5-thione
4-amino-5-(azepan-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
4-amino-5-[(azepan-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4H-1,2,4-triazole-3-thiol, 4-amino-5-[(hexahydro-1H-azepin-1-yl)methyl]
MFCD18203594 [MDL number]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 415.9±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 205.3±29.3 °C
    Index of Refraction: 1.723
    Molar Refractivity: 62.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): -1.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 99 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 59.5±7.0 dyne/cm
    Molar Volume: 157.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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