Chemical Properties of Benzenecarboximidothioic acid, N-methyl-, methyl ester (CAS 40780-82-3)

InChI

InChI=1S/C9H11NS/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9-

InChI Key

PCHKPGSXUAGLCS-KTKRTIGZSA-N

Formula

C9H11NS

SMILES

CN=C(SC)c1ccccc1

Molecular Weight¹

165.25

CAS

40780-82-3

• 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 Benzenecarboximidothioic acid, N-methyl-, methyl ester.

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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