Chemical Properties of Chlorothiazide (CAS 58-94-6)

InChI

InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)

InChI Key

JBMKAUGHUNFTOL-UHFFFAOYSA-N

Formula

C7H6ClN3O4S2

SMILES

NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O

Molecular Weight¹

295.72

CAS

58-94-6

Other Names

• 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide
• 6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
• 6-Chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
• Alurene
• Chloriazid
• Chlorosal
• Chlorothiazid
• Chlorthiazide
• Chlortiazid
• Chlorurit
• Chlotride
• Chlrosal
• Clotride
• Diuresal
• Diuril
• Diuril Boluses
• Diurilix
• Diurite
• Diutrid
• Flumen
• Minzil
• NSC 25693
• Neo-Dema
• SK-chlorothiazide
• Salisan
• Salunil
• Saluretil
• Saluric
• Thiazide
• Urinex
• Warduzide
• Yadalan

• 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).
• 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).
• 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
ΔfG°	-493.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-617.41	kJ/mol	Joback Calculated Property
ΔfusH°	49.35	kJ/mol	Joback Calculated Property
ΔvapH°	100.38	kJ/mol	Joback Calculated Property
log10WS	[-3.05; -3.05]
log10WS	-3.05		Aq. Sol...
log10WS	-3.05		Estimat...
logPoct/wat	-0.061		Crippen Calculated Property
McVol	168.930	ml/mol	McGowan Calculated Property
Pc	9122.35	kPa	Joback Calculated Property
Tboil	702.84	K	Joback Calculated Property
Tc	947.15	K	Joback Calculated Property
Tfus	667.97	K	Joback Calculated Property
Vc	0.663	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[413.67; 460.30]	J/mol×K	[702.84; 947.15]
Cp,gas	413.67	J/mol×K	702.84	Joback Calculated Property
Cp,gas	424.37	J/mol×K	743.56	Joback Calculated Property
Cp,gas	433.92	J/mol×K	784.28	Joback Calculated Property
Cp,gas	442.30	J/mol×K	824.99	Joback Calculated Property
Cp,gas	449.50	J/mol×K	865.71	Joback Calculated Property
Cp,gas	455.51	J/mol×K	906.43	Joback Calculated Property
Cp,gas	460.30	J/mol×K	947.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chlorothiazide.

Sources

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

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