ChemSpider 2D Image | 5-{4H,5H,6H,7H,8H-cyclohepta[b]thiophen-3-yl}-4-methyl-4H-1,2,4-triazole-3-thiol | C12H15N3S2

5-{4H,5H,6H,7H,8H-cyclohepta[b]thiophen-3-yl}-4-methyl-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC12H15N3S2
  • Average mass265.398 Da
  • Monoisotopic mass265.070740 Da
  • ChemSpider ID21330033

More details:

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

3-{4H,5H,6H,7H,8H-cyclohepta[b]thiophen-3-yl}-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)- [ACD/Index Name]
4-Methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Methyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Méthyl-5-(5,6,7,8-tétrahydro-4H-cyclohepta[b]thiophén-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-{4H,5H,6H,7H,8H-cyclohepta[b]thiophen-3-yl}-4-methyl-2H-1,2,4-triazole-3-thione
5-{4H,5H,6H,7H,8H-cyclohepta[b]thiophen-3-yl}-4-methyl-4H-1,2,4-triazole-3-thiol
956576-83-3 [RN]
4-methyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-1H-1,2,4-triazole-5-thione
4-methyl-5-(4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophen-3-yl)-1,2,4-triazole-3-thiol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD09971977 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 479.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±3.0 kJ/mol
    Flash Point: 243.6±31.5 °C
    Index of Refraction: 1.760
    Molar Refractivity: 75.2±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.67
    ACD/LogD (pH 5.5): 2.10
    ACD/BCF (pH 5.5): 11.90
    ACD/KOC (pH 5.5): 93.42
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 1.17
    ACD/KOC (pH 7.4): 9.20
    Polar Surface Area: 98 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 54.9±7.0 dyne/cm
    Molar Volume: 182.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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