Chemical Properties of 2H-Benzimidazole-2-thione,1,3-dihydro-1,3-dimethyl- (CAS 3418-46-0)

InChI

InChI=1S/C9H10N2S/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3

InChI Key

CSYLYUAMXUGIFE-UHFFFAOYSA-N

Formula

C9H10N2S

SMILES

Cn1c(=S)n(C)c2ccccc21

Molecular Weight¹

178.25

CAS

3418-46-0

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor 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 2H-Benzimidazole-2-thione,1,3-dihydro-1,3-dimethyl-.

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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