Chemical Properties of 2,3-Butanedione oxime thiosemicarbazone (CAS 5012-80-6)

InChI

InChI=1S/C5H10N4OS/c1-3(4(2)9-10)7-8-5(6)11/h10H,1-2H3,(H3,6,8,11)/b7-3-,9-4+

InChI Key

JYFXRMZMTBRMHZ-CITSBAIRSA-N

Formula

C5H10N4OS

SMILES

CC(=NO)C(C)=NNC(N)=S

Molecular Weight¹

174.22

CAS

5012-80-6

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 2,3-Butanedione oxime thiosemicarbazone.

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
• Joback Method
• McGowan Method
• NIST Webbook

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