p-Ethoxythiobenzoic acid O-2-piperidinoethyl ester hydrochloride

O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride

CAS: 16780-14-6

Molecular Formula	`C16H24ClNO2S`
Molecular Weight	329.9 g/mol
Topological Polar Surface Area	55.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	329.12164
Heavy Atoms	21
Complexity	284.0

Chemical Identifiers

CAS Number	16780-14-6
SMILES	`CCOC1=CC=C(C=C1)C(=S)OCC[NH+]2CCCCC2.[Cl-]`
InChIKey	`WTMBCTFOGOHGDR-UHFFFAOYSA-N`

📖 Product Overview

p-Ethoxythiobenzoic acid O-2-piperidinoethyl ester hydrochloride (CAS: 16780-14-6) is a chemical compound with molecular formula C16H24ClNO2S and molecular weight 329.9 g/mol. Its IUPAC systematic name is O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride. Topological Polar Surface Area 55.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 329.12164 Heavy Atoms 21 Complexity 284.0 InChI Key: WTMBCTFOGOHGDR-UHFFFAOYSA-N. SMILES: CCOC1=CC=C(C=C1)C(=S)OCC[NH+]2CCCCC2.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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