Chemical Properties of 1-Piperidinecarbothioic acid, S-(1-methyl-1-phenylethyl) ester (CAS 61432-55-1)

InChI

InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3

InChI Key

BWUPSGJXXPATLU-UHFFFAOYSA-N

Formula

C15H21NOS

SMILES

CC(C)(SC(=O)N1CCCCC1)c1ccccc1

Molecular Weight¹

263.40

CAS

61432-55-1

Other Names

• Dimepiperate
• S-(1-methyl-1-phenylethyl) piperidine-1-carbothioate

• 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	-4.47		Crippen Calculated Property
logPoct/wat	4.261		Crippen Calculated Property
McVol	215.490	ml/mol	McGowan Calculated Property
Inp	[2082.00; 2133.00]
Inp	2082.00		NIST
Inp	2088.00		NIST
Inp	Outlier 2133.00		NIST
Inp	2093.00		NIST
Inp	2082.00		NIST
Inp	2082.00		NIST

Similar Compounds

Find more compounds similar to 1-Piperidinecarbothioic acid, S-(1-methyl-1-phenylethyl) ester.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.