ChemSpider 2D Image | Ethyl 5-iodothiazole-4-carboxylate | C6H6INO2S

Ethyl 5-iodothiazole-4-carboxylate

  • Molecular FormulaC6H6INO2S
  • Average mass283.087 Da
  • Monoisotopic mass282.916382 Da
  • ChemSpider ID28295585

More details:

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

4-Thiazolecarboxylic acid, 5-iodo-, ethyl ester [ACD/Index Name]
5-Iodo-1,3-thiazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
900530-64-5 [RN]
Ethyl 5-iodo-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 5-iodothiazole-4-carboxylate
Ethyl-5-iod-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
[900530-64-5] [RN]
4-ethoxycarbonyl-5-iodothiazole
AGN-PC-0D2NTK
BD228447
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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: 1.9±0.1 g/cm3
    Boiling Point: 305.4±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.6±3.0 kJ/mol
    Flash Point: 138.5±22.3 °C
    Index of Refraction: 1.618
    Molar Refractivity: 52.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.43
    ACD/LogD (pH 5.5): 2.02
    ACD/BCF (pH 5.5): 20.22
    ACD/KOC (pH 5.5): 299.40
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 20.22
    ACD/KOC (pH 7.4): 299.40
    Polar Surface Area: 67 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 55.1±3.0 dyne/cm
    Molar Volume: 148.6±3.0 cm3

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