Chemical Properties of Barbituric acid, 5-hydroxy-5-thiosemicarbazido-

Barbituric acid, 5-hydroxy-5-thiosemicarbazido-

InChI
InChI=1S/C5H7N5O4S/c6-3(15)9-10-5(14)1(11)7-4(13)8-2(5)12/h10,14H,(H3,6,9,15)(H2,7,8,11,12,13)
InChI Key
GOHDTOFXBVDEDM-UHFFFAOYSA-N
Formula
C5H7N5O4S
SMILES
NC(=S)NNC1(O)C(=O)NC(=O)NC1=O
Molecular Weight1
233.21
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Physical Properties

Property Value Unit Source
ΔfusH° 36.04 kJ/mol Joback Calculated Property
logPoct/wat -3.621 Crippen Calculated Property
McVol 142.980 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [196.22; 452.84] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.76500e+01
Coefficient B7.16790e-01
Coefficient C-3.91000e-04
Coefficient D9.94000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 196.22 J/mol×K 273.00 Calculated Property
Cp,gas 236.70 J/mol×K 353.78 Calculated Property
Cp,gas 273.46 J/mol×K 434.56 Calculated Property
Cp,gas 306.80 J/mol×K 515.33 Calculated Property
Cp,gas 337.05 J/mol×K 596.11 Calculated Property
Cp,gas 364.52 J/mol×K 676.89 Calculated Property
Cp,gas 389.51 J/mol×K 757.67 Calculated Property
Cp,gas 412.36 J/mol×K 838.44 Calculated Property
Cp,gas 433.36 J/mol×K 919.22 Calculated Property
Cp,gas 452.84 J/mol×K 1000.00 Calculated Property

Similar Compounds

MIRTAZAPINE. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-) AC. Biotin, N,N'-(trimethylsilyl)-, trimethylsilyl ester. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether, benzyloxime (isomer 1). N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether, benzyloxime (isomer 2). Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. cefuroxime acid. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Butorphanol di-TMS derivative. Hydrastine. N-Desmethylmirtazapine.

Find more compounds similar to Barbituric acid, 5-hydroxy-5-thiosemicarbazido-.

Sources

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