Chemical Properties of QUINETHAZONE

InChI

InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)

InChI Key

AGMMTXLNIQSRCG-UHFFFAOYSA-N

Formula

C10H12ClN3O3S

SMILES

CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1

Molecular Weight¹

289.74

Other Names

• 2-Ethyl-7-chloro-1,2,3,4-tetrahydro-4-oxoquinazoline-6-sulfonamide
• 6-Quinazolinesulfonamide, 7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-
• 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-quinazolinesulfonamide
• 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-quinzaolinesulfonamide
• 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-sulfamoylquinazoline
• 7-Chloro-2-ethyl-6-sulfamoyl-1,2,3,4-tetrahydro-4-quinazolinone
• 7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide
• Aquamox
• CL 36010
• Chinetazone
• Hydromox
• Idrokin
• Quinethazon
• Quinethazone Me
• Quinethazonum

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	50.03	kJ/mol	Joback Calculated Property
log10WS	[-3.29; -3.29]
log10WS	-3.29		Aq. Solubility Prediction
log10WS	-3.29		Estimated Solubility
logPoct/wat	0.879		Crippen Calculated Property
McVol	188.980	ml/mol	McGowan Calculated Property
Inp	[3000.00; 3000.00]
Inp	3000.00		NIST
Inp	3000.00		NIST
Tfus	524.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[260.06; 564.15]	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			7.03210e+01
Coefficient B			7.44910e-01
Coefficient C			-1.57080e-04
Coefficient D			-9.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.06	J/mol×K	273.00	Calculated Property
Cp,gas	310.03	J/mol×K	353.78	Calculated Property
Cp,gas	356.65	J/mol×K	434.56	Calculated Property
Cp,gas	399.62	J/mol×K	515.33	Calculated Property
Cp,gas	438.64	J/mol×K	596.11	Calculated Property
Cp,gas	473.42	J/mol×K	676.89	Calculated Property
Cp,gas	503.66	J/mol×K	757.67	Calculated Property
Cp,gas	529.06	J/mol×K	838.44	Calculated Property
Cp,gas	549.32	J/mol×K	919.22	Calculated Property
Cp,gas	564.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to QUINETHAZONE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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