ChemSpider 2D Image | 2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid | C12H12N2O2S

2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid

  • Molecular FormulaC12H12N2O2S
  • Average mass248.301 Da
  • Monoisotopic mass248.061951 Da
  • ChemSpider ID23924545

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

2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid
2-(4-Dimethylaminophenyl)-1,3-thiazole-4-carboxylic acid
2-[4-(Dimethylamino)phenyl]-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-[4-(Dimethylamino)phenyl]-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[4-(dimethylamino)phenyl]- [ACD/Index Name]
955400-50-7 [RN]
Acide 2-[4-(diméthylamino)phényl]-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
[955400-50-7] [RN]
2-(4-(Dimethylamino)phenyl)-thiazole-4-carboxylic acid
2-(4-dimethylaminophenyl)-1,3-thiazole-4-carboxylicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 465.4±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.6±3.0 kJ/mol
    Flash Point: 235.3±30.4 °C
    Index of Refraction: 1.650
    Molar Refractivity: 68.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.33
    ACD/LogD (pH 5.5): 0.99
    ACD/BCF (pH 5.5): 1.29
    ACD/KOC (pH 5.5): 13.71
    ACD/LogD (pH 7.4): -0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 82 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 59.6±3.0 dyne/cm
    Molar Volume: 187.9±3.0 cm3

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