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	511.83	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.68; 570.93]	J/mol×K	[803.49; 1054.38]
Cp,gas	518.68	J/mol×K	803.49	Joback Calculated Property
Cp,gas	530.98	J/mol×K	845.30	Joback Calculated Property
Cp,gas	541.90	J/mol×K	887.12	Joback Calculated Property
Cp,gas	551.40	J/mol×K	928.93	Joback Calculated Property
Cp,gas	559.43	J/mol×K	970.75	Joback Calculated Property
Cp,gas	565.95	J/mol×K	1012.56	Joback Calculated Property
Cp,gas	570.93	J/mol×K	1054.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to QUINETHAZONE.

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
• 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.