Chemical Properties of 9H-purine, 6-[(2-mercaptoethyl)thio]-, s-acetate

InChI

InChI=1S/C9H10N4OS2/c1-6(14)15-2-3-16-9-7-8(11-4-10-7)12-5-13-9/h4-5H,2-3H2,1H3,(H,10,11,12,13)

InChI Key

CIJAISDDQRVOBA-UHFFFAOYSA-N

Formula

C9H10N4OS2

SMILES

CC(=O)SCCSc1ncnc2[nH]cnc12

Molecular Weight¹

254.33

• 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

Similar Compounds

Find more compounds similar to 9H-purine, 6-[(2-mercaptoethyl)thio]-, s-acetate.

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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