Chemical Properties of Bitoscanate (CAS 4044-65-9)

InChI

InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H

InChI Key

OMWQUXGVXQELIX-UHFFFAOYSA-N

Formula

C8H4N2S2

SMILES

S=C=Nc1ccc(N=C=S)cc1

Molecular Weight¹

192.26

CAS

4044-65-9

Other Names

• Benzene, 1,4-diisothiocyanato-
• Isothiocyanic acid, p-phenylene ester
• p-Phenylene bis(isothiocyanate)
• p-Phenylene diisothiocyanate
• Bitoscanat
• Jonit
• Phenylene 1,4-diisothiocyanate
• WM 842
• 1,4-Diisothiocyanatobenzene
• 1,4-Phenylene diisothiocyanate
• Isothiocyanic acid, 1,4-phenylenedi-
• Biscomate

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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 Bitoscanate.

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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