ChemSpider 2D Image | 1H-Indole-4-carbothioamide | C9H8N2S

1H-Indole-4-carbothioamide

  • Molecular FormulaC9H8N2S
  • Average mass176.238 Da
  • Monoisotopic mass176.040817 Da
  • ChemSpider ID25994114

More details:

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

1H-Indol-4-carbothioamid [German] [ACD/IUPAC Name]
1H-Indole-4-carbothioamide [ACD/Index Name] [ACD/IUPAC Name]
1H-Indole-4-carbothioamide [French] [ACD/Index Name] [ACD/IUPAC Name]
885272-40-2 [RN]
[885272-40-2] [RN]
1H-INDOLE-4-CARBOTHIOAMIDE|1H-INDOLE-4-CARBOTHIOAMIDE
1H-Indole-4-carbothioic acid amide
1H-INDOLE-4-CARBOTHIOICACIDAMIDE
MFCD06738972

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 399.0±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.0±3.0 kJ/mol
    Flash Point: 195.1±25.7 °C
    Index of Refraction: 1.796
    Molar Refractivity: 54.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): 1.89
    ACD/BCF (pH 5.5): 16.07
    ACD/KOC (pH 5.5): 254.03
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 16.07
    ACD/KOC (pH 7.4): 254.04
    Polar Surface Area: 74 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 82.1±3.0 dyne/cm
    Molar Volume: 128.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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