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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.63; 546.49]	J/mol×K	[811.63; 1062.41]
Cp,gas	507.63	J/mol×K	811.63	Joback Calculated Property
Cp,gas	517.01	J/mol×K	853.43	Joback Calculated Property
Cp,gas	525.21	J/mol×K	895.22	Joback Calculated Property
Cp,gas	532.25	J/mol×K	937.02	Joback Calculated Property
Cp,gas	538.14	J/mol×K	978.82	Joback Calculated Property
Cp,gas	542.88	J/mol×K	1020.61	Joback Calculated Property
Cp,gas	546.49	J/mol×K	1062.41	Joback 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

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