Chemical Properties of Sulindac (CAS 38194-50-2)

InChI

InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+

InChI Key

MLKXDPUZXIRXEP-RQZCQDPDSA-N

Formula

C20H17FO3S

SMILES

CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc1ccc(S(C)=O)cc1

Molecular Weight¹

356.41

CAS

38194-50-2

Other Names

• ((1Z)-5-Fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl)acetic acid
• (Z)-2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid
• (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
• (Z)-5-fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid
• (Z)-5-fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid (sulindac)
• 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (Z)-
• Aflodac
• Algocetil
• Arthrocine
• Artribid
• Citireuma
• Clinoril
• Clisundac
• Imbaral
• MK 231
• Mobilin
• Reumofil
• Reumyl
• Sudac
• Sulindac sulfoxide
• Sulinol
• Sulreuma
• cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
• cis-5-Fluoro-2-methyl-1-[(p-methylsulfinyl)benzylidene]indene-3-acetic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[757.03; 811.93]	J/mol×K	[956.07; 1185.39]
Cp,gas	757.03	J/mol×K	956.07	Joback Calculated Property
Cp,gas	767.82	J/mol×K	994.29	Joback Calculated Property
Cp,gas	777.84	J/mol×K	1032.51	Joback Calculated Property
Cp,gas	787.18	J/mol×K	1070.73	Joback Calculated Property
Cp,gas	795.92	J/mol×K	1108.95	Joback Calculated Property
Cp,gas	804.14	J/mol×K	1147.17	Joback Calculated Property
Cp,gas	811.93	J/mol×K	1185.39	Joback Calculated Property
ΔfusH	33.40	kJ/mol	460.20	NIST

Similar Compounds

Find more compounds similar to Sulindac.

Sources

• Crippen Method
• Thermal characterization of some polymorph solvates of the anti-inflammatory/anti-cancer sulindac
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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