ChemSpider 2D Image | 4,4-Dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-6-carboxylic acid | C13H11NO2S3

4,4-Dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-6-carboxylic acid

  • Molecular FormulaC13H11NO2S3
  • Average mass309.427 Da
  • Monoisotopic mass308.995178 Da
  • ChemSpider ID59703171

More details:

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

1H-[1,2]Dithiolo[3,4-c]quinoline-6-carboxylic acid, 4,5-dihydro-4,4-dimethyl-1-thioxo- [ACD/Index Name]
4,4-Dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]chinolin-6-carbonsäure [German] [ACD/IUPAC Name]
4,4-Dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-6-carboxylic acid [ACD/IUPAC Name]
Acide 4,4-diméthyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoléine-6-carboxylique [French] [ACD/IUPAC Name]
2096311-78-1 [RN]
4,4-Dimethyl-1-thioxo-4,5-dihydro-1H-2,3-dithia-5-aza-cyclopenta[a]naphthalene-6-carboxylic acid
MFCD30728896

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 547.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 87.1±3.0 kJ/mol
    Flash Point: 285.1±32.9 °C
    Index of Refraction: 1.793
    Molar Refractivity: 83.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.01
    ACD/LogD (pH 5.5): 3.63
    ACD/BCF (pH 5.5): 148.22
    ACD/KOC (pH 5.5): 468.33
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 5.17
    ACD/KOC (pH 7.4): 16.32
    Polar Surface Area: 132 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 88.8±5.0 dyne/cm
    Molar Volume: 195.4±5.0 cm3

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