ChemSpider 2D Image | 1-(Methylsulfanyl)-3-[3-(methylsulfanyl)-1,2,4-triazin-5-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine | C15H18N4S2

1-(Methylsulfanyl)-3-[3-(methylsulfanyl)-1,2,4-triazin-5-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine

  • Molecular FormulaC15H18N4S2
  • Average mass318.460 Da
  • Monoisotopic mass318.097290 Da
  • ChemSpider ID34978708

More details:

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

1-(Methylsulfanyl)-3-[3-(methylsulfanyl)-1,2,4-triazin-5-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin [German] [ACD/IUPAC Name]
1-(Methylsulfanyl)-3-[3-(methylsulfanyl)-1,2,4-triazin-5-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine [ACD/IUPAC Name]
1-(Méthylsulfanyl)-3-[3-(méthylsulfanyl)-1,2,4-triazin-5-yl]-6,7,8,9-tétrahydro-5H-cyclohepta[c]pyridine [French] [ACD/IUPAC Name]
5H-Cyclohepta[c]pyridine, 6,7,8,9-tetrahydro-1-(methylthio)-3-[3-(methylthio)-1,2,4-triazin-5-yl]- [ACD/Index Name]
1-methylsulfanyl-3-(3-methylsulfanyl-1,2,4-triazin-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
287102-87-8 [RN]
AO-040/41077077
CXJYZINHIDPFBB-UHFFFAOYSA-N
MolPort-035-672-931

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 525.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.9±3.0 kJ/mol
    Flash Point: 271.6±32.9 °C
    Index of Refraction: 1.651
    Molar Refractivity: 89.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.62
    ACD/LogD (pH 5.5): 3.88
    ACD/BCF (pH 5.5): 526.99
    ACD/KOC (pH 5.5): 3089.38
    ACD/LogD (pH 7.4): 3.88
    ACD/BCF (pH 7.4): 527.00
    ACD/KOC (pH 7.4): 3089.40
    Polar Surface Area: 102 Å2
    Polarizability: 35.3±0.5 10-24cm3
    Surface Tension: 71.4±5.0 dyne/cm
    Molar Volume: 243.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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