Chemical Properties of N-(5,6-Dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide

InChI

InChI=1S/C9H3Cl2F3N2OS/c10-3-1-5-6(2-4(3)11)18-8(15-5)16-7(17)9(12,13)14/h1-2H,(H,15,16,17)

InChI Key

WKYNHNRROJBZCK-UHFFFAOYSA-N

Formula

C9H3Cl2F3N2OS

SMILES

OC(=Nc1nc2cc(Cl)c(Cl)cc2s1)C(F)(F)F

Molecular Weight¹

315.10

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

Physical Properties

Property	Value	Unit	Source
logPoct/wat	4.753		Crippen Calculated Property
McVol	166.420	ml/mol	McGowan Calculated Property
Inp	[1954.00; 1954.00]
Inp	1954.00		NIST
Inp	1954.00		NIST

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 N-(5,6-Dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide.

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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