Chemical Properties of Isosemicarbazide, 3-(9h-purin-6-yl)-3-thio-

InChI

InChI=1S/C6H7N7S/c7-6(13-8)14-5-3-4(10-1-9-3)11-2-12-5/h1-2H,8H2,(H2,7,13)(H,9,10,11,12)

InChI Key

NXWQVTORELUAPM-UHFFFAOYSA-N

Formula

C6H7N7S

SMILES

NN=C(N)Sc1ncnc2[nH]cnc12

Molecular Weight¹

209.23

• 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 Isosemicarbazide, 3-(9h-purin-6-yl)-3-thio-.

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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