Chemical Properties of Sulforidazine M (nor-), monoacetylated

InChI

InChI=1S/C22H26N2O3S2/c1-16(25)23-13-6-5-7-17(23)12-14-24-19-8-3-4-9-21(19)28-22-11-10-18(15-20(22)24)29(2,26)27/h3-4,8-11,15,17H,5-7,12-14H2,1-2H3

InChI Key

VPKWFQLEEXLAAT-UHFFFAOYSA-N

Formula

C22H26N2O3S2

SMILES

CC(=O)N1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)(=O)=O)cc21

Molecular Weight¹

430.58

• 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	0.8589		Relay (... Calculated Property
ΔfG°	72.51	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-368.41	kJ/mol	Relay (... Calculated Property
ΔvapH°	158.16	kJ/mol	Relay (... Calculated Property
IE	7.28	eV	Relay (... Calculated Property
log10WS	-4.79		Relay (... Calculated Property
logPoct/wat	4.484		Crippen Calculated Property
McVol	317.570	ml/mol	McGowan Calculated Property
Pc	1334.66	kPa	Relay (... Calculated Property ⚠️
Inp	[3800.00; 3800.00]
Inp	3800.00		NIST
Inp	3800.00		NIST
Tboil	809.81	K	Relay (... Calculated Property
Tc	1134.02	K	Relay (... Calculated Property
Tfus	438.55	K	Relay (... Calculated Property
Vc	1.109	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Sulforidazine M (nor-), monoacetylated.

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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