2-(Phenethylthio)ethyl nicotinate

2-(2-phenylethylsulfanyl)ethyl pyridine-3-carboxylate

CAS: 101952-70-9

Molecular Formula	`C16H17NO2S`
Molecular Weight	287.4 g/mol
LogP	3.6
Topological Polar Surface Area	64.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	287.098
Heavy Atoms	20
Complexity	280.0

Chemical Identifiers

CAS Number	101952-70-9
SMILES	`C1=CC=C(C=C1)CCSCCOC(=O)C2=CN=CC=C2`
InChIKey	`AKFDAYXHDDOXQC-UHFFFAOYSA-N`

📖 Product Overview

2-(Phenethylthio)ethyl nicotinate (CAS: 101952-70-9) is a chemical compound with molecular formula C16H17NO2S and molecular weight 287.4 g/mol. Its IUPAC systematic name is 2-(2-phenylethylsulfanyl)ethyl pyridine-3-carboxylate. LogP 3.6 Topological Polar Surface Area 64.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 287.098 Heavy Atoms 20 Complexity 280.0 InChI Key: AKFDAYXHDDOXQC-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)CCSCCOC(=O)C2=CN=CC=C2.

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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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