Chemical Properties of Trichlormethiazide

InChI

InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)

InChI Key

LMJSLTNSBFUCMU-UHFFFAOYSA-N

Formula

C8H8Cl3N3O4S2

SMILES

NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O

Molecular Weight¹

380.66

Other Names

• 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(dichloromethyl)-3,4-dihydro-, 1,1-dioxide
• 3-(Dichloromethyl)-6-chloro-7-sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
• 3-Dichloromethyl-6-chloro-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
• 3-Dichloromethylhydrochlorothiazide
• 6-Chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
• 6-Chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-thiadiazine-7-sulfonamide 1,1-dioxide
• 6-Chloro-3-(dichloromethyl)3,4-dihydro-7-sulfamoyl-1,2,4-benzothiadiazine-1,1-dioxide
• 6-Chloro-3-(dichloromethyl)3,4-dihydro-7-sulfamyl-1,2,4-benzothiadiazine-1,1-dioxide
• Achletin
• Anatran
• Anistadin
• Aponorin
• Carvacron
• Chlopolidine
• Ciba 7057-Su
• Cretonin
• Diu-Hydrin
• Diurazida
• Diurese
• Diuroral
• Esmarin
• Eurinol
• Fluitran
• Flurese
• Flutra
• Gangesol
• Hydrotrichlorothiazide
• Intromene
• Isestran
• Kubacron
• Metahydrin
• Metatensin
• NSC 61560
• Nakva
• Naqua
• Naquasone
• Naquival
• Salurin
• Schebitran
• Tachionin
• Tolcasone
• Trichlormetazid
• Trichlormethiazid
• Trichloromethiadiazide
• Trichloromethiazide
• Triclordiuride
• Triclormetiazide
• Triflumen

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.81; 547.89]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.52700e+01
Coefficient B			7.96300e-01
Coefficient C			-3.29580e-04
Coefficient D			-1.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.81	J/mol×K	273.00	Calculated Property
Cp,gas	335.11	J/mol×K	353.78	Calculated Property
Cp,gas	377.91	J/mol×K	434.56	Calculated Property
Cp,gas	416.17	J/mol×K	515.33	Calculated Property
Cp,gas	449.85	J/mol×K	596.11	Calculated Property
Cp,gas	478.90	J/mol×K	676.89	Calculated Property
Cp,gas	503.27	J/mol×K	757.67	Calculated Property
Cp,gas	522.92	J/mol×K	838.44	Calculated Property
Cp,gas	537.81	J/mol×K	919.22	Calculated Property
Cp,gas	547.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Trichlormethiazide.

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
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.