Chemical Properties of [1,2,5]-Thiadiazolo[3,4-d]pyrimidine, 5,7-dipyrrolidin-1-yl-

InChI

InChI=1S/C12H16N6S/c1-2-6-17(5-1)11-9-10(16-19-15-9)13-12(14-11)18-7-3-4-8-18/h1-8H2

InChI Key

HATWPRLPAYDUNK-UHFFFAOYSA-N

Formula

C12H16N6S

SMILES

C1CCN(c2nc(N3CCCC3)c3nsnc3n2)C1

Molecular Weight¹

276.36

• 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 [1,2,5]-Thiadiazolo[3,4-d]pyrimidine, 5,7-dipyrrolidin-1-yl-.

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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