Chemical Properties of 3-Bromomethyl-6-bromo-7-sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazine-1,1-dioxide (CAS 3764-20-3)

InChI

InChI=1S/C8H9Br2N3O4S2/c9-3-8-12-5-1-4(10)6(18(11,14)15)2-7(5)19(16,17)13-8/h1-2,8,12-13H,3H2,(H2,11,14,15)

InChI Key

UHLKDFTWNQPIKF-UHFFFAOYSA-N

Formula

C8H9Br2N3O4S2

SMILES

NS(=O)(=O)c1cc2c(cc1Br)NC(CBr)NS2(=O)=O

Molecular Weight¹

435.11

CAS

3764-20-3

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[275.88; 540.68]	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			7.46610e+01
Coefficient B			8.46400e-01
Coefficient C			-4.07980e-04
Coefficient D			2.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.88	J/mol×K	273.00	Calculated Property
Cp,gas	324.26	J/mol×K	353.78	Calculated Property
Cp,gas	367.69	J/mol×K	434.56	Calculated Property
Cp,gas	406.27	J/mol×K	515.33	Calculated Property
Cp,gas	440.08	J/mol×K	596.11	Calculated Property
Cp,gas	469.21	J/mol×K	676.89	Calculated Property
Cp,gas	493.75	J/mol×K	757.67	Calculated Property
Cp,gas	513.78	J/mol×K	838.44	Calculated Property
Cp,gas	529.40	J/mol×K	919.22	Calculated Property
Cp,gas	540.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Bromomethyl-6-bromo-7-sulfamoyl-3,4-dihydro-1,2,4-benzothiadiazine-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
• Joback 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.