Chemical Properties of Thenalidine (CAS 86-12-4)

InChI

InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3

InChI Key

KLOHYVOVXOUKQI-UHFFFAOYSA-N

Formula

C17H22N2S

SMILES

CN1CCC(N(Cc2cccs2)c2ccccc2)CC1

Molecular Weight¹

286.44

CAS

86-12-4

Other Names

• 4-Piperidinamine, 1-methyl-N-phenyl-N-(2-thienylmethyl)-
• Piperidine, 1-methyl-4-(N-2-thenylanilino)-
• 1-Methyl-4-amino-N-phenyl-N-(2-thenyl)piperidine
• 1-Methyl-4-N-2-thenylanilinopiperidine
• Thenophenopiperidine
• Sandostene
• Thenaldine
• Sanbosten

• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
log10WS	-3.92		Crippen Calculated Property
logPoct/wat	3.849		Crippen Calculated Property
McVol	232.620	ml/mol	McGowan Calculated Property
Inp	[2252.00; 2270.00]
Inp	2252.00		NIST
Inp	2270.00		NIST
Inp	2260.00		NIST
Inp	2270.00		NIST

Similar Compounds

Find more compounds similar to Thenalidine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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