Chemical Properties of Quinethazone (CAS 73-49-4)

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

CAS

73-49-4

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7805		Relay (1.0) Calculated Property
ΔfG°	-195.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.03	kJ/mol	Joback Calculated Property
ΔvapH°	118.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) 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
Pc	4583.94	kPa	Joback Calculated Property
Inp	[3000.00; 3000.00]
Inp	3000.00		NIST
Inp	3000.00		NIST
Tboil	663.59	K	Relay (1.0) Calculated Property
Tc	1010.72	K	Relay (1.0) Calculated Property
Tfus	511.83	K	Relay (1.0) Calculated Property
Vc	0.655	m3/kmol	Relay (1.0) Calculated Property

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)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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