ChemSpider 2D Image | Ethyl 5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazole-2-carboxylate | C13H13N3O3S

Ethyl 5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazole-2-carboxylate

  • Molecular FormulaC13H13N3O3S
  • Average mass291.326 Da
  • Monoisotopic mass291.067749 Da
  • ChemSpider ID21801694

More details:

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

1,3,4-Thiadiazole-2-carboxylic acid, 5-[[(4-methylphenyl)amino]carbonyl]-, ethyl ester [ACD/Index Name]
1142210-74-9 [RN]
5-[(4-Méthylphényl)carbamoyl]-1,3,4-thiadiazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazole-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-carboxylat [German] [ACD/IUPAC Name]
1,3,4-thiadiazole-2-carboxylic acid, 5-[[(4-methylphenyl)amino]carbonyl], ethyl ester
Ethyl 5-([(4-methylphenyl)amino]carbonyl)-1,3,4-thiadiazole-2-carboxylate
ethyl 5-(p-tolylcarbamoyl)-1,3,4-thiadiazole-2-carboxylate
ethyl 5-[N-(4-methylphenyl)carbamoyl]-1,3,4-thiadiazole-2-carboxylate
Ethyl 5-{[(4-methylphenyl)amino]carbonyl}-1,3,4-thiadiazole-2-carboxylate

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

MFCD12028374 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.632
    Molar Refractivity: 76.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 1.84
    ACD/BCF (pH 5.5): 14.80
    ACD/KOC (pH 5.5): 239.46
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 14.73
    ACD/KOC (pH 7.4): 238.34
    Polar Surface Area: 109 Å2
    Polarizability: 30.4±0.5 10-24cm3
    Surface Tension: 61.0±3.0 dyne/cm
    Molar Volume: 214.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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