Chemical Properties of (4-aminophenyl)sulfonylthiourea

InChI

InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)

InChI Key

UEMLYRZWLVXWRU-UHFFFAOYSA-N

Formula

C7H9N3O2S2

SMILES

NC(=S)NS(=O)(=O)c1ccc(N)cc1

Molecular Weight¹

231.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[210.35; 431.86]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.43400e+01
Coefficient B			8.71380e-01
Coefficient C			-6.02360e-04
Coefficient D			1.48500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.35	J/mol×K	273.00	Calculated Property
Cp,gas	253.80	J/mol×K	353.78	Calculated Property
Cp,gas	291.44	J/mol×K	434.56	Calculated Property
Cp,gas	323.75	J/mol×K	515.33	Calculated Property
Cp,gas	351.19	J/mol×K	596.11	Calculated Property
Cp,gas	374.23	J/mol×K	676.89	Calculated Property
Cp,gas	393.35	J/mol×K	757.67	Calculated Property
Cp,gas	409.02	J/mol×K	838.44	Calculated Property
Cp,gas	421.70	J/mol×K	919.22	Calculated Property
Cp,gas	431.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (4-aminophenyl)sulfonylthiourea.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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