Chemical Properties of sulfamethizole

InChI

InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)

InChI Key

VACCAVUAMIDAGB-UHFFFAOYSA-N

Formula

C9H10N4O2S2

SMILES

Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1

Molecular Weight¹

270.34

Other Names

• 4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

• 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).
• 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	0.7170		Relay (1.0) Calculated Property
ΔfG°	192.30	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-0.93	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	123.12	kJ/mol	Relay (1.0) Calculated Property
IE	7.80	eV	Relay (1.0) Calculated Property
log10WS	[-2.78; -2.71]
log10WS	-2.71		Aq. Solubility Prediction
log10WS	-2.78		Aq. Solubility Prediction
logPoct/wat	1.230		Crippen Calculated Property
McVol	178.810	ml/mol	McGowan Calculated Property
Pc	3977.44	kPa	Relay (1.0-beta) Calculated Property
Tboil	673.38	K	Relay (1.0) Calculated Property
Tc	1012.47	K	Relay (1.0) Calculated Property
Tfus	487.79	K	Relay (1.0) Calculated Property
Vc	0.624	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to sulfamethizole.

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
• Aqueous Solubility Prediction Method
• Aqueous Solubility Prediction Method
• McGowan Method

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.