Chemical Properties of 10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)- (CAS 34580-13-7)

InChI

InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3

InChI Key

ZCVMWBYGMWKGHF-UHFFFAOYSA-N

Formula

C19H19NOS

SMILES

CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1

Molecular Weight¹

309.43

CAS

34580-13-7

Other Names

• Ketotifen
• 4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one
• HC 20-511
• 4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one

• 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	-4.85		Crippen Calculated Property
logPoct/wat	4.014		Crippen Calculated Property
McVol	237.230	ml/mol	McGowan Calculated Property
Inp	[2600.00; 2600.00]
Inp	2600.00		NIST
Inp	2600.00		NIST

Similar Compounds

Find more compounds similar to 10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-.

Sources

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

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