Chemical Properties of Azintamide

InChI

InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3

InChI Key

SSLKKMZJCJBOML-UHFFFAOYSA-N

Formula

C10H14ClN3OS

SMILES

CCN(CC)C(=O)CSc1ccc(Cl)nn1

Molecular Weight¹

259.76

Other Names

• 2-(6-chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide

• 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	0.5768		Relay (1.0) Calculated Property
ΔfG°	211.60	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	-47.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	88.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	[-1.72; -1.72]
log10WS	-1.72		Aq. Solubility Prediction
log10WS	-1.72		Estimated Solubility
log10WS	-1.72		Rytting (2005)
logPoct/wat	2.091		Crippen Calculated Property
McVol	188.100	ml/mol	McGowan Calculated Property
Pc	2511.01	kPa	Relay (1.0-beta) Calculated Property ⚠️
Tboil	594.45	K	Relay (1.0) Calculated Property
Tc	828.54	K	Relay (1.0) Calculated Property
Tfus	346.37	K	Relay (1.0) Calculated Property
Vc	0.664	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Azintamide.

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
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• 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.