Chemical Properties of 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-N,N,2,4-tetramethyl-, 1,1-dioxide (CAS 55670-20-7)

InChI

InChI=1S/C11H16ClN3O4S2/c1-13(2)20(16,17)10-6-11-9(5-8(10)12)14(3)7-15(4)21(11,18)19/h5-6H,7H2,1-4H3

InChI Key

QPVCMENCMBSJLZ-UHFFFAOYSA-N

Formula

C11H16ClN3O4S2

SMILES

CN1CN(C)S(=O)(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc21

Molecular Weight¹

353.85

CAS

55670-20-7

Other Names

• Hydrochlorothiazide tetra-methyl derivative
• Hydrochlorothiazide, tetramethyl
• Hydrochlorothiazide, tetramethyl deriv.
• Hydrochlorothiazide Me

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.7125		Relay (1.0) Calculated Property
ΔfG°	-97.42	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-512.97	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	104.32	kJ/mol	Relay (1.0) Calculated Property
IE	7.37	eV	Relay (1.0) Calculated Property
log10WS	-3.90		Relay (1.0) Calculated Property
logPoct/wat	0.618		Crippen Calculated Property
McVol	229.590	ml/mol	McGowan Calculated Property
Pc	2151.89	kPa	Relay (1.0-beta) Calculated Property
Inp	[2966.00; 2966.00]
Inp	2966.00		NIST
Inp	2966.00		NIST
Tboil	690.71	K	Relay (1.0) Calculated Property
Tc	983.88	K	Relay (1.0) Calculated Property
Tfus	461.35	K	Relay (1.0) Calculated Property
Vc	0.842	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-N,N,2,4-tetramethyl-, 1,1-dioxide.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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