Chemical Properties of Bis-(n-pentanesulfonyl methyl)-2-thiazolyl disulfide (CAS 93999-94-1)

InChI

InChI=1S/C18H28N2O4S6/c1-3-5-7-9-29(21,22)13-15-11-25-17(19-15)27-28-18-20-16(12-26-18)14-30(23,24)10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3

InChI Key

YZNBNJKXZNVMBJ-UHFFFAOYSA-N

Formula

C18H28N2O4S6

SMILES

CCCCCS(=O)(=O)Cc1csc(SSc2nc(CS(=O)(=O)CCCCC)cs2)n1

Molecular Weight¹

528.82

CAS

93999-94-1

• 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 Bis-(n-pentanesulfonyl methyl)-2-thiazolyl disulfide.

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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