ChemSpider 2D Image | Ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate | C5H5BrN2O2S

Ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate

  • Molecular FormulaC5H5BrN2O2S
  • Average mass237.074 Da
  • Monoisotopic mass235.925507 Da
  • ChemSpider ID24597571

More details:

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

1,3,4-Thiadiazole-2-carboxylic acid, 5-bromo-, ethyl ester [ACD/Index Name]
1030613-07-0 [RN]
5-Bromo-1,3,4-thiadiazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-1,3,4-thiadiazole-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-brom-1,3,4-thiadiazol-2-carboxylat [German] [ACD/IUPAC Name]
[1030613-07-0] [RN]
1443414-10-5 [RN]
2-Bromo-5-(ethoxycarbonyl)-1,3,4-thiadiazole
4-bromo-1H-pyrazole-5-carboxylic acid [ACD/IUPAC Name]
5-bromo-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester
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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: 1.7±0.1 g/cm3
    Boiling Point: 305.6±25.0 °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: 138.6±23.2 °C
    Index of Refraction: 1.575
    Molar Refractivity: 44.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 1.65
    ACD/BCF (pH 5.5): 10.53
    ACD/KOC (pH 5.5): 187.67
    ACD/LogD (pH 7.4): 1.65
    ACD/BCF (pH 7.4): 10.53
    ACD/KOC (pH 7.4): 187.67
    Polar Surface Area: 80 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 135.9±3.0 cm3

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