Chemical Properties of Zolimidine (CAS 1222-57-7)

InChI

InChI=1S/C14H12N2O2S/c1-19(17,18)12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3

InChI Key

VSLIUWLPFRVCDL-UHFFFAOYSA-N

Formula

C14H12N2O2S

SMILES

CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1

Molecular Weight¹

272.32

CAS

1222-57-7

• 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).
• I_np : Non-polar retention indices.
• 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	0.6542		Relay (1.0) Calculated Property
ΔfG°	113.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-37.64	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	139.26	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-3.56		Relay (1.0) Calculated Property
logPoct/wat	2.405		Crippen Calculated Property
McVol	193.490	ml/mol	McGowan Calculated Property
Pc	3205.86	kPa	Relay (1.0-beta) Calculated Property
Inp	[2927.00; 2927.00]
Inp	2927.00		NIST
Inp	2927.00		NIST
Tboil	708.90	K	Relay (1.0) Calculated Property
Tc	1032.03	K	Relay (1.0) Calculated Property
Tfus	488.07	K	Relay (1.0) Calculated Property
Vc	0.715	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Zolimidine.

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
• McGowan Method
• NIST Webbook

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