Found 156 results

Search term: MF = 'C_{6}H_{4}N_{2}O_{2}S'
ChemSpider 2D Image | 4H-Pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid | C6H4N2O2S

4H-Pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid

  • Molecular FormulaC6H4N2O2S
  • Average mass168.173 Da
  • Monoisotopic mass167.999344 Da
  • ChemSpider ID24699185

More details:

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

1007386-66-4 [RN]
4H-Pyrrolo[3,2-d][1,3]thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
4H-Pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid [ACD/IUPAC Name]
4H-Pyrrolo[3,2-d]thiazole-5-carboxylic acid [ACD/Index Name]
Acide 4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478374/
MFCD12924346

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 457.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.6±3.0 kJ/mol
    Flash Point: 230.2±23.2 °C
    Index of Refraction: 1.811
    Molar Refractivity: 41.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.87
    ACD/LogD (pH 5.5): -0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.78
    ACD/LogD (pH 7.4): -1.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 94 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 104.1±3.0 dyne/cm
    Molar Volume: 97.1±3.0 cm3

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