Chemical Properties of Cyclothiazide (CAS 2259-96-3)

InChI

InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)

InChI Key

BOCUKUHCLICSIY-UHFFFAOYSA-N

Formula

C14H16ClN3O4S2

SMILES

NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O

Molecular Weight¹

389.88

CAS

2259-96-3

Other Names

• 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4-dihydro-, 1,1-dioxide
• 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-chloro-3-(5-norbornen-2-yl)-,1,1-dioxide
• Anhydron
• Aquirel
• Doburil
• MDi 193
• Renazide
• Valmiran
• 6-Chloro-3,4-dihydro-3-(5-norbornen-2-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
• Fluidil
• Lilly 35483
• 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-(5-norbornen-2-yl)-, 1,1-dioxide

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.32; 798.43]	J/mol×K	[866.26; 1110.62]
Cp,gas	738.32	J/mol×K	866.26	Joback Calculated Property
Cp,gas	751.70	J/mol×K	906.99	Joback Calculated Property
Cp,gas	763.64	J/mol×K	947.71	Joback Calculated Property
Cp,gas	774.21	J/mol×K	988.44	Joback Calculated Property
Cp,gas	783.48	J/mol×K	1029.16	Joback Calculated Property
Cp,gas	791.53	J/mol×K	1069.89	Joback Calculated Property
Cp,gas	798.43	J/mol×K	1110.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclothiazide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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