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Search term: MF = 'C_{11}H_{9}N_{3}O_{4}S'
ChemSpider 2D Image | 4,5-Dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxylic acid 6,6-dioxide | C11H9N3O4S

4,5-Dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxylic acid 6,6-dioxide

  • Molecular FormulaC11H9N3O4S
  • Average mass279.272 Da
  • Monoisotopic mass279.031372 Da
  • ChemSpider ID28600934

More details:

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

4,5-Dihydroimidazo[5,1-d][1,2,5]benzothiadiazepin-3-carbonsäure-6,6-dioxid [German] [ACD/IUPAC Name]
4,5-Dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxylic acid 6,6-dioxide [ACD/IUPAC Name]
Acide 6,6-dioxyde de -4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazépine-3-carboxylique [French] [ACD/IUPAC Name]
Imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxylic acid, 4,5-dihydro-, 6,6-dioxide [ACD/Index Name]
1251000-52-8 [RN]
4,5-Dihydrobenzo[f]imidazo[5,1-d][1,2,5]thiadiazepine-3-carboxylic acid 6,6-dioxide
6,6-dioxo-4,5-dihydroimidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxylic acid
6,6-DIoxo-5,6-Dihydro-4H-6L6-Thia-2,5,10B-Triaza-Benzo[E]Azulene-3-Carboxylic Acid
6,6-Dioxo-5,6-dihydro-4H-6l6-thia-2,5,10b-triaza-benzo[e]azulene-3-carboxylicacid
9,9-dioxo-9??-thia-2,4,8-triazatricyclo[8.4.0.0²,?]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 609.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.2±3.0 kJ/mol
    Flash Point: 322.5±34.3 °C
    Index of Refraction: 1.784
    Molar Refractivity: 67.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.32
    ACD/LogD (pH 5.5): -1.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 110 Å2
    Polarizability: 26.6±0.5 10-24cm3
    Surface Tension: 83.0±7.0 dyne/cm
    Molar Volume: 159.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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